General Information of the Compound
| Compound ID |
CP0500039
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[5-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]-1-phenylpyrazole-3-carbonyl]amino]pentanoic acid
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| Structure |
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| Formula |
C28H34N6O9
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| Molecular Weight |
598.613
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCCC2=O)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H34N6O9/c1-2-42-28(41)32-15-13-31(14-16-32)27(40)20(10-11-25(37)38)29-26(39)21-17-24(34(30-21)19-7-4-3-5-8-19)43-18-23(36)33-12-6-9-22(33)35/h3-5,7-8,17,20H,2,6,9-16,18H2,1H3,(H,29,39)(H,37,38)/t20-/m0/s1
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| InChIKey |
GEQPDEBYYUQMBL-FQEVSTJZSA-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