General Information of the Compound
| Compound ID |
CP0502643
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| Compound Name |
(4S)5-{4-[(3,3-Dimethylbutoxy)carbonyl]piperazin-1-yl}-5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic Acid
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| Structure |
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| Formula |
C28H36N4O6
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| Molecular Weight |
524.618
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| Canonical SMILES |
CC(C)(C)CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H36N4O6/c1-28(2,3)14-19-38-27(37)32-17-15-31(16-18-32)26(36)23(12-13-24(33)34)30-25(35)22-11-7-10-21(29-22)20-8-5-4-6-9-20/h4-11,23H,12-19H2,1-3H3,(H,30,35)(H,33,34)/t23-/m0/s1
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| InChIKey |
KHDHNZYGEGHHJX-QHCPKHFHSA-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