General Information of the Compound
| Compound ID |
CP0502645
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| Compound Name |
(4S)5-(4-Butyrylpiperazin-1-yl)5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic acid
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| Structure |
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| Formula |
C29H38N4O5
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| Molecular Weight |
522.646
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| Canonical SMILES |
CCCC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H38N4O5/c1-5-10-25(34)32-17-19-33(20-18-32)28(37)24(15-16-26(35)38-29(2,3)4)31-27(36)23-14-9-13-22(30-23)21-11-7-6-8-12-21/h6-9,11-14,24H,5,10,15-20H2,1-4H3,(H,31,36)/t24-/m0/s1
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| InChIKey |
ULXYRNBVCMCDQO-DEOSSOPVSA-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