General Information of the Compound
| Compound ID |
CP0498714
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| Compound Name |
(S)-4-(4-(4-(diethylcarbamoyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(propoxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C35H48N6O7
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| Molecular Weight |
664.804
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| Canonical SMILES |
CCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(CC)CC
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| InChI |
InChI=1S/C35H48N6O7/c1-4-22-48-35(47)41-20-18-40(19-21-41)34(46)28(12-13-31(42)43)37-32(44)30-24-27(23-29(36-30)25-10-8-7-9-11-25)39-16-14-26(15-17-39)33(45)38(5-2)6-3/h7-11,23-24,26,28H,4-6,12-22H2,1-3H3,(H,37,44)(H,42,43)/t28-/m0/s1
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| InChIKey |
DDKMGIAFBBKSKW-NDEPHWFRSA-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