General Information of the Compound
| Compound ID |
CP0447513
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| Compound Name |
(4S)5-[4-(Anilinocarbonyl)piperazin-1-yl]-5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic acid
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| Structure |
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| Formula |
C32H37N5O5
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| Molecular Weight |
571.678
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| Canonical SMILES |
CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cccc(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C32H37N5O5/c1-32(2,3)42-28(38)18-17-27(35-29(39)26-16-10-15-25(34-26)23-11-6-4-7-12-23)30(40)36-19-21-37(22-20-36)31(41)33-24-13-8-5-9-14-24/h4-16,27H,17-22H2,1-3H3,(H,33,41)(H,35,39)/t27-/m0/s1
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| InChIKey |
BVVVBGVCFSZQLT-MHZLTWQESA-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