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小分子和化合物库
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SB 206553盐酸盐CAS号: 1197334-04-5 Compound CID : 11957707分子式: C17H16N4O.HCl 分子量: 328.80IUPAC Name: 1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide;hydrochlorideSMILES: CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21.ClInChIKey: VGEMBOFBPSNOIO-UHFFFAOYSA-NInChI: 1S/C17H16N4O.ClH/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14;/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22);1H
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NPEC 笼状多巴胺CAS号: 1257326-23-0分子式: C17H18N2O6 分子量: 346.33IUPAC Name: 1-(2-nitrophenyl)ethyl N-[2-(3,4-dihydroxyphenyl)ethyl]carbamateSMILES: CC(C1=CC=CC=C1[N+](=O)[O-])OC(=O)NCCC2=CC(=C(C=C2)O)OInChIKey: PDNNZLULXSQJGZ-UHFFFAOYSA-NInChI: 1S/C17H18N2O6/c1-11(13-4-2-3-5-14(13)19(23)24)25-17(22)18-9-8-12-6-7-15(20)16(21)10-12/h2-7,10-11,20-21H,8-9H2,1H3,(H,18,22)
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JLK 6,γ-分泌酶介导的βAPP加工抑制剂CAS号: 62252-26-0分子式: C10H8ClNO3 分子量: 225.63IUPAC Name: 7-amino-4-chloro-3-methoxyisochromen-1-oneSMILES: COC1=C(C2=C(C=C(C=C2)N)C(=O)O1)ClInChIKey: AMDGKLWVCUXONP-UHFFFAOYSA-NInChI: 1S/C10H8ClNO3/c1-14-10-8(11)6-3-2-5(12)4-7(6)9(13)15-10/h2-4H,12H2,1H3
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氧氟沙星CAS号: 82419-36-1分子式: C18H20FN3O4 分子量: 361.37IUPAC Name: 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acidSMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)OInChIKey: GSDSWSVVBLHKDQ-UHFFFAOYSA-NInChI: 1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
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他莫西芬CAS号: 10540-29-1 EC号: 234-118-0分子式: C26H29NO 分子量: 371.51IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamineSMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-NInChI: 1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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D-生物素分子式: C10H16N2O3S 分子量: 244.31IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acidSMILES: [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2InChIKey: YBJHBAHKTGYVGT-ZKWXMUAHSA-NInChI: 1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
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胞嘧啶核苷分子式: C9H13N3O5 分子量: 243.22IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-oneSMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)OInChIKey: UHDGCWIWMRVCDJ-XVFCMESISA-NInChI: 1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
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秋水仙碱分子式: C22H25NO6 分子量: 399.44IUPAC Name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamideSMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OCInChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-NInChI: 1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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虫草素分子式: C10H13N5O3 分子量: 251.24IUPAC Name: (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-olSMILES: C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)COInChIKey: OFEZSBMBBKLLBJ-BAJZRUMYSA-NInChI: 1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
