General Information of the Compound
| Compound ID |
CP0522039
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| Compound Name |
(4S)5-{4-[(2-Cyclopropylethoxy)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 |
C27H32N4O6
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| Molecular Weight |
508.575
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)c1cccc(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OCCC1CC1
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| InChI |
InChI=1S/C27H32N4O6/c32-24(33)12-11-23(29-25(34)22-8-4-7-21(28-22)20-5-2-1-3-6-20)26(35)30-14-16-31(17-15-30)27(36)37-18-13-19-9-10-19/h1-8,19,23H,9-18H2,(H,29,34)(H,32,33)/t23-/m0/s1
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| InChIKey |
OPLKSTGTYCOYFI-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