General Information of the Compound
| Compound ID |
CP0537812
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| Compound Name |
(4S)5-(4-Hexylpiperazin-1-yl)5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic acid
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| Structure |
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| Formula |
C31H44N4O4
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| Molecular Weight |
536.717
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| Canonical SMILES |
CCCCCCN1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C31H44N4O4/c1-5-6-7-11-19-34-20-22-35(23-21-34)30(38)27(17-18-28(36)39-31(2,3)4)33-29(37)26-16-12-15-25(32-26)24-13-9-8-10-14-24/h8-10,12-16,27H,5-7,11,17-23H2,1-4H3,(H,33,37)/t27-/m0/s1
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| InChIKey |
JOKADRPLJINYMK-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