General Information of the Compound
| Compound ID |
CP0528054
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| Compound Name |
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-[({6-phenyl-4-[(piperidin-1-ylcarbonyl)mino]pyridin-2-yl}carbonyl)amino]pentanoic acid
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| Structure |
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| Formula |
C37H52N6O7
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| Molecular Weight |
692.858
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)N2CCCCC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C37H52N6O7/c1-5-6-13-24-49-36(48)43-22-20-41(21-23-43)34(46)29(16-17-32(44)50-37(2,3)4)40-33(45)31-26-28(38-35(47)42-18-11-8-12-19-42)25-30(39-31)27-14-9-7-10-15-27/h7,9-10,14-15,25-26,29H,5-6,8,11-13,16-24H2,1-4H3,(H,40,45)(H,38,39,47)/t29-/m0/s1
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| InChIKey |
IFXFEHLVEJVIAR-LJAQVGFWSA-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