General Information of the Compound
| Compound ID |
CP0413942
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| Compound Name |
(4S)-5-(4-benzoylpiperazin-1-yl)-4-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C37H43N7O8
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| Molecular Weight |
713.792
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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)c1ccccc1
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| InChI |
InChI=1S/C37H43N7O8/c45-31(43-18-8-15-30(43)35(49)38-26-11-7-12-26)24-52-32-23-29(40-44(32)27-13-5-2-6-14-27)34(48)39-28(16-17-33(46)47)37(51)42-21-19-41(20-22-42)36(50)25-9-3-1-4-10-25/h1-6,9-10,13-14,23,26,28,30H,7-8,11-12,15-22,24H2,(H,38,49)(H,39,48)(H,46,47)/t28-,30-/m0/s1
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| InChIKey |
URDUOFVCSQBEKB-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