小分子和化合物库
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EHT 1864,mGlu拮抗剂CAS号 : 168560-79-0 Compound CID : 2071分子式: C11H11NO4 分子量: 221.21IUPAC Name: 1-amino-2,3-dihydroindene-1,5-dicarboxylic acidSMILES: C1CC(C2=C1C=C(C=C2)C(=O)O)(C(=O)O)NInChIKey: LSTPKMWNRWCNLS-UHFFFAOYSA-NInChI: InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)
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A 841720CAS号 : 869802-58-4 Compound CID : 11559235分子式: C17H21N5OS 分子量: 343.45IUPAC Name: 5-(azepan-1-yl)-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-oneSMILES: CN(C)C1=C2C3=C(C(=O)N(C=N3)N4CCCCCC4)SC2=NC=C1InChIKey: GYWGXEGOXODOQU-UHFFFAOYSA-NInChI: InChI=1S/C17H21N5OS/c1-20(2)12-7-8-18-16-13(12)14-15(24-16)17(23)22(11-19-14)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3
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伊班膦酸CAS号 : 114084-78-5 Compound CID : 60852分子式: C9H23NO7P2 分子量: 319.23IUPAC Name: [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acidSMILES: CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)OInChIKey: MPBVHIBUJCELCL-UHFFFAOYSA-NInChI: InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)
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帕米膦酸CAS号 : 40391-99-9 Compound CID : 4674分子式: C3H11NO7P2 分子量: 235.07IUPAC Name: (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acidSMILES: C(CN)C(O)(P(=O)(O)O)P(=O)(O)OInChIKey: WRUUGTRCQOWXEG-UHFFFAOYSA-NInChI: InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)
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米诺磷酸CAS号 : 180064-38-4 Compound CID : 130956分子式: C9H12N2O7P2 分子量: 322.15IUPAC Name: (1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acidSMILES: C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)OInChIKey: VMMKGHQPQIEGSQ-UHFFFAOYSA-NInChI: InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
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Zoledronic AcidCAS号 : 118072-93-8 Compound CID : 68740分子式: C5H10N2O7P2 分子量: 272.09IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acidSMILES: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)OInChIKey: XRASPMIURGNCCH-UHFFFAOYSA-NInChI: InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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(1-hydroxy-1-phosphonododecyl)phosphonic acidCAS号 : 16610-63-2 Compound CID : 4395717IUPAC Name: (1-hydroxy-1-phosphonododecyl)phosphonic acidSMILES: CCCCCCCCCCCC(P(=O)(O)O)(P(=O)(O)O)OInChIKey: KKVZONPEMODBBG-UHFFFAOYSA-NInChI: InChI=1S/C12H28O7P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20(14,15)16)21(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)
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(1S,3R)-ACPDCompound CID : 104766IUPAC Name: (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acidSMILES: OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)OInChIKey: YFYNOWXBIBKGHB-FBCQKBJTSA-NInChI: InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
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(5R)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-oneCompound CID : 16659802IUPAC Name: (5R)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-oneSMILES: C[C@@H]1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)ClInChIKey: LFUPTQIEOBBAJE-SECBINFHSA-NInChI: InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m1/s1
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(5S)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-oneCompound CID : 16659803IUPAC Name: (5S)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-oneSMILES: C[C@H]1CNc2c(O1)cnc1c2c2ncn(c(=O)c2s1)c1ccc(cc1)ClInChIKey: LFUPTQIEOBBAJE-VIFPVBQESA-NInChI: InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m0/s1
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3,5-dimethyl PPPCompound CID : 11722867IUPAC Name: 4-(3,3-dimethylbutan-2-yl) 2-propyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylateSMILES: CCCOC(=O)c1[nH]c(c(c1C)C(=O)OC(C(C)(C)C)C)CInChIKey: DOYZAIRDDZPMQZ-UHFFFAOYSA-NInChI: InChI=1S/C17H27NO4/c1-8-9-21-16(20)14-10(2)13(11(3)18-14)15(19)22-12(4)17(5,6)7/h12,18H,8-9H2,1-7H3
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4-[5-(4-chlorophenyl)-6-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamideCompound CID : 44442431IUPAC Name: 4-[5-(4-chlorophenyl)-6-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamideSMILES: Clc1ccc(cc1)n1c(C)nc2c(c1=O)cnn2c1ccc(cc1)S(=O)(=O)NInChIKey: VRNFEVMRDQNBHD-UHFFFAOYSA-NInChI: InChI=1S/C18H14ClN5O3S/c1-11-22-17-16(18(25)23(11)13-4-2-12(19)3-5-13)10-21-24(17)14-6-8-15(9-7-14)28(20,26)27/h2-10H,1H3,(H2,20,26,27)
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![(5R)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/R/6/R608966.png)
![(5S)-14-(4-chlorophenyl)-5-methyl-6-oxa-11-thia-3,9,14,16-tetraazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),15-pentaen-13-one](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/S/6/S608965.png)

![4-[5-(4-chlorophenyl)-6-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-1-yl]benzene-1-sulfonamide](https://mgt-cn248-dev.env.aladdin-e.com/media/catalog/product/cache/ad749d2b3d22cf8c01ccf166d5754002/C/6/C609062.png)