General Information of the Compound
| Compound ID |
CP0381619
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| Compound Name |
(4S)-4-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-oxo-5-(4-phenoxycarbonylpiperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C37H43N7O9
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| Molecular Weight |
729.791
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)Oc1ccccc1
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| InChI |
InChI=1S/C37H43N7O9/c45-31(43-18-8-15-30(43)35(49)38-25-9-7-10-25)24-52-32-23-29(40-44(32)26-11-3-1-4-12-26)34(48)39-28(16-17-33(46)47)36(50)41-19-21-42(22-20-41)37(51)53-27-13-5-2-6-14-27/h1-6,11-14,23,25,28,30H,7-10,15-22,24H2,(H,38,49)(H,39,48)(H,46,47)/t28-,30-/m0/s1
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| InChIKey |
DKNNFADSGJARAT-JDXGNMNLSA-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