小分子和化合物库
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(S)-AMPACAS号 : 83643-88-3分子式: C7H10N2O4 分子量: 186.17IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acidSMILES: CC1=C(C(=O)NO1)CC(C(=O)O)NInChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-NInChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
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AmpalexCAS号 : 154235-83-3 Compound CID : 148184分子式: C14H15N3O 分子量: 241.29IUPAC Name: piperidin-1-yl(quinoxalin-6-yl)methanoneSMILES: C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2InChIKey: ANDGGVOPIJEHOF-UHFFFAOYSA-NInChI: InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
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CX 546CAS号 : 215923-54-9(DMSO) Compound CID : 2890分子式: C14H17NO3 分子量: 247.29IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanoneSMILES: C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3InChIKey: LJUNPHMOGNFFOS-UHFFFAOYSA-NInChI: InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
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IDRA-21CAS号 : 22503-72-6(DMSO) Compound CID : 3688分子式: C8H9ClN2O2S 分子量: 232.69IUPAC Name: 7-chloro-3-methyl-3,4-dihydro-2H-1位6,2,4-benzothiadiazine 1,1-dioxideSMILES: CC1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1InChIKey: VZRNTCHTJRLTMU-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3
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环噻嗪CAS号 : 2259-96-3(DMSO) Compound CID : 2910分子式: C14H16ClN3O4S2 分子量: 389.87IUPAC Name: 3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1位6,2,4-benzothiadiazine-7-sulfonamideSMILES: C1C2CC(C1C=C2)C3NC4=CC(=C(C=C4S(=O)(=O)N3)S(=O)(=O)N)ClInChIKey: BOCUKUHCLICSIY-UHFFFAOYSA-NInChI: InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
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MibampatorCAS号 : 375345-95-2(DMSO)分子式: C21H30N2O4S2 分子量: 438.6SMILES: CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)CCNS(=O)(=O)C
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(S)-WillardiineCAS号 : 21416-43-3 Compound CID : 440053分子式: C7H9N3O4 分子量: 199.166IUPAC Name: (2S)-2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acidSMILES: C1=CN(C(=O)NC1=O)CC(C(=O)O)NInChIKey: FACUYWPMDKTVFU-BYPYZUCNSA-NInChI: InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1
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MibampatorCAS号 : 375345-95-2 Compound CID : 9889366分子式: C21H30N2O4S2 分子量: 438.60IUPAC Name: N-[(2R)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]phenyl]propyl]propane-2-sulfonamideSMILES: CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)CCNS(=O)(=O)CInChIKey: ULRDYYKSPCRXAJ-KRWDZBQOSA-NInChI: InChI=1S/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21(12-10-19)20-7-5-18(6-8-20)13-14-22-28(4,24)25/h5-12,16-17,22-23H,13-15H2,1-4H3/t17-/m0/s1
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4-chloro-2-[(3-iodophenyl)carbamoylamino]benzoic AcidCAS号 : 639009-97-5 Compound CID : 10001987分子式: C14H10ClIN2O3 分子量: 416.6IUPAC Name: 4-chloro-2-[(3-iodophenyl)carbamoylamino]benzoic acidSMILES: C1=CC(=CC(=C1)I)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)OInChIKey: HDVLBTNZJJUZTI-UHFFFAOYSA-NInChI: InChI=1S/C14H10ClIN2O3/c15-8-4-5-11(13(19)20)12(6-8)18-14(21)17-10-3-1-2-9(16)7-10/h1-7H,(H,19,20)(H2,17,18,21)
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Bromo-willardiineCAS号 : 19772-78-2 Compound CID : 167842分子式: C7H8BrN3O4 分子量: 278.06IUPAC Name: (2S)-2-amino-3-(5-bromo-2,4-dioxopyrimidin-1-yl)propanoic acidSMILES: C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)BrInChIKey: AEKIJKSVXKWGRJ-BYPYZUCNSA-NInChI: InChI=1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
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