General Information of the Compound
| Compound ID |
CP0476884
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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]-3-(methanesulfonamido)propanoyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C32H44N8O9S
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| Molecular Weight |
716.818
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CNS(C)(=O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C32H44N8O9S/c1-3-48-32(45)38-17-15-37(16-18-38)31(44)25(20-33-50(2,46)47)35-29(42)24-19-28(40(36-24)23-11-5-4-6-12-23)49-21-27(41)39-14-8-13-26(39)30(43)34-22-9-7-10-22/h4-6,11-12,19,22,25-26,33H,3,7-10,13-18,20-21H2,1-2H3,(H,34,43)(H,35,42)/t25-,26-/m0/s1
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| InChIKey |
QYFBHRVKSQDRCF-UIOOFZCWSA-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