General Information of the Compound
| Compound ID |
CP0488003
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| Compound Name |
ethyl 4-[(2S)-2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-4-(methanesulfonamido)butanoyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C33H46N8O9S
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| Molecular Weight |
730.845
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCNS(C)(=O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C33H46N8O9S/c1-3-49-33(46)39-19-17-38(18-20-39)32(45)25(14-15-34-51(2,47)48)36-30(43)26-21-29(41(37-26)24-11-5-4-6-12-24)50-22-28(42)40-16-8-13-27(40)31(44)35-23-9-7-10-23/h4-6,11-12,21,23,25,27,34H,3,7-10,13-20,22H2,1-2H3,(H,35,44)(H,36,43)/t25-,27-/m0/s1
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| InChIKey |
WWQPPZJEYLRXEO-BDYUSTAISA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound