小分子和化合物库
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(1R,1'S,3'R/1R,1'R,3'S)-L-054,264CAS号: 208706-12-1 Compound CID : 9915239分子式: C33H41N5O2 分子量: 539.71IUPAC Name: N-[(2R)-1-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamideSMILES: C1CC(CC(C1)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)N4CCC5(CC4)C=CC6=CC=CC=C56)CNInChIKey: DAMXHAMKVXERLM-FVBCXUTKSA-NInChI: See more
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米托蒽醌(2-羟乙基)哌嗪杂质CAS号: 137132-70-8分子式: C22H26N4O6 分子量: 442.46IUPAC Name: 8,11-dihydroxy-4-(2-hydroxyethyl)-6-[2-(2-hydroxyethylamino)ethylamino]-2,3-dihydro-1H-naphtho[3,2-f]quinoxaline-7,12-dioneSMILES: C1CN(C2=C(N1)C3=C(C(=C2)NCCNCCO)C(=O)C4=C(C=CC(=C4C3=O)O)O)CCOInChIKey: GJMHXLAWJIOZMT-UHFFFAOYSA-NInChI: 1S/C22H26N4O6/c27-9-6-23-3-4-24-12-11-13-20(25-5-7-26(13)8-10-28)19-16(12)21(31)17-14(29)1-2-15(30)18(17)22(19)32/h1-2,11,23-25,27-30H,3-10H2
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2,3',4,5',6-五羟基联苯CAS号: 491-45-2分子式: C12H10O5 分子量: 234.2IUPAC Name: 2-(3,5-dihydroxyphenyl)benzene-1,3,5-triolSMILES: C1=C(C=C(C=C1O)O)C2=C(C=C(C=C2O)O)OInChIKey: KICYRZIVKKYRFS-UHFFFAOYSA-NInChI: 1S/C12H10O5/c13-7-1-6(2-8(14)3-7)12-10(16)4-9(15)5-11(12)17/h1-5,13-17H
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(+)-氯化毒蕈碱CAS号: 2303-35-7分子式: C9H20ClNO2 分子量: 209.71IUPAC Name: [(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium;chlorideSMILES: C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O.[Cl-]InChIKey: WUFRNEJYZWHXLC-CTERPIQNSA-MInChI: 1S/C9H20NO2.ClH/c1-7-9(11)5-8(12-7)6-10(2,3)4;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1
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生物素-PEG4-酰肼CAS号: 756525-97-0分子式: C21H39N5O7S 分子量: 505.63IUPAC Name: N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamideSMILES: C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NN)NC(=O)N2InChIKey: PSBJJOWIACLJAQ-UHFFFAOYSA-NInChI: 1S/C21H39N5O7S/c22-26-19(28)5-7-30-9-11-32-13-14-33-12-10-31-8-6-23-18(27)4-2-1-3-17-20-16(15-34-17)24-21(29)25-20/h16-17,20H,1-15,22H2,(H,23,27)(H,26,28)(H2,24,25,29)
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木防己苦毒素(苦毒宁+印防己素)CAS号: 124-87-8分子式: C30H34O13 分子量: 602.58IUPAC Name: See moreSMILES: CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)OInChIKey: VJKUPQSHOVKBCO-ZTYBEOBUSA-NInChI: See more
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