小分子和化合物库
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CL 316243 二钠盐CAS号: 138908-40-4分子式: C20H18ClNNa2O7 分子量: 465.8IUPAC Name: disodium;5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylateSMILES: CC(CC1=CC2=C(C=C1)OC(O2)(C(=O)[O-])C(=O)[O-])NCC(C3=CC(=CC=C3)Cl)O.[Na+].[Na+]InChIKey: FUZBPOHHSBDTJQ-CFOQQKEYSA-LInChI: 1S/C20H20ClNO7.2Na/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27;;/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27);;/q;2*+1/p-2/t11-,15+;;/m1../s1
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Fmoc-Freidinger′s lactamCAS号: 145484-45-3分子式: C25H28N2O5 分子量: 436.5IUPAC Name: (2S)-2-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acidSMILES: CC(C)CC(C(=O)O)N1CCC(C1=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24InChIKey: MPIWMZZNSZSFPD-YADHBBJMSA-NInChI: 1S/C25H28N2O5/c1-15(2)13-22(24(29)30)27-12-11-21(23(27)28)26-25(31)32-14-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,15,20-22H,11-14H2,1-2H3,(H,26,31)(H,29,30)/t21-,22+/m1/s1
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LP 533401盐酸盐CAS号: 1040526-12-2分子式: C27H22F4N4O3・HCl 分子量: 562.94IUPAC Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid;hydrochlorideSMILES: C1=CC(=CC(=C1)F)C2=CC=C(C=C2)C(C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)CC(C(=O)O)N)N.ClInChIKey: BHBWZCUMIXCDPM-CHXZROHQSA-NInChI: See more
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香草酸分子式: C10H12O5 分子量: 212.2IUPAC Name: 2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acidSMILES: COC1=C(C=CC(=C1)CC(C(=O)O)O)OInChIKey: SVYIZYRTOYHQRE-UHFFFAOYSA-NInChI: 1S/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,11-12H,4H2,1H3,(H,13,14)
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ARQ 621CAS号: 1095253-39-6分子式: C28H24Cl2FN5O2 分子量: 552.43IUPAC Name: N-(3-aminopropyl)-N-[(1R)-1-(3-anilino-7-chloro-4-oxoquinazolin-2-yl)but-3-ynyl]-3-chloro-2-fluorobenzamideSMILES: C#CCC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1NC3=CC=CC=C3)N(CCCN)C(=O)C4=C(C(=CC=C4)Cl)FInChIKey: UPJSUQWHUVLLNW-XMMPIXPASA-NInChI: 1S/C28H24Cl2FN5O2/c1-2-8-24(35(16-7-15-32)27(37)21-11-6-12-22(30)25(21)31)26-33-23-17-18(29)13-14-20(23)28(38)36(26)34-19-9-4-3-5-10-19/h1,3-6,9-14,17,24,34H,7-8,15-16,32H2/t24-/m1/s1
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Azido-PEG4-Val-Cit-PAB-OHCAS号: 2055024-64-9 Compound CID : 119058238分子式: C29H48N8O9 分子量: 652.8IUPAC Name: (2S)-2-[[(2S)-2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]pentanamideSMILES: CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]InChIKey: AXRCLOURQJMPLC-AHWVRZQESA-NInChI: See more
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Patisiran sodiumCAS号: 1386913-72-9分子量: 13427.10 (AS: 6661.3; SS: 6765.8)SMILES: [Patisiran (sodium)]
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