General Information of the Compound
| Compound ID |
CP0404884
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| Compound Name |
(S)-4-(4-(benzyloxy)-6-phenylpicolinamido)-5-(4-(ethoxycarbonyl)piperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C31H34N4O7
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| Molecular Weight |
574.634
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCc2ccccc2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C31H34N4O7/c1-2-41-31(40)35-17-15-34(16-18-35)30(39)25(13-14-28(36)37)33-29(38)27-20-24(42-21-22-9-5-3-6-10-22)19-26(32-27)23-11-7-4-8-12-23/h3-12,19-20,25H,2,13-18,21H2,1H3,(H,33,38)(H,36,37)/t25-/m0/s1
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| InChIKey |
SRYSLSVPDPEIDN-VWLOTQADSA-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