General Information of the Compound
| Compound ID |
CP0520405
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| Compound Name |
(4S)5-{4-[(Hexyloxy)carbonyl]piperazin-1-yl}-5-oxo-4-({[6-phenyl-4-(piperidin-4-ylmethoxy)pyridin-2-yl]carbonyl}amino)pentanoic Acid
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| Structure |
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| Formula |
C34H47N5O7
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| Molecular Weight |
637.778
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| Canonical SMILES |
CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCNCC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C34H47N5O7/c1-2-3-4-8-21-45-34(44)39-19-17-38(18-20-39)33(43)28(11-12-31(40)41)37-32(42)30-23-27(46-24-25-13-15-35-16-14-25)22-29(36-30)26-9-6-5-7-10-26/h5-7,9-10,22-23,25,28,35H,2-4,8,11-21,24H2,1H3,(H,37,42)(H,40,41)/t28-/m0/s1
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| InChIKey |
NZRYKDOKNLNIOD-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