General Information of the Compound
| Compound ID |
CP0469876
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| Compound Name |
(4S)4-[({4-[(Ethoxycarbonyl)amino]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic acid
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| Structure |
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| Formula |
C34H47N5O8
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| Molecular Weight |
653.777
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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)OCC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C34H47N5O8/c1-6-8-12-21-46-33(44)39-19-17-38(18-20-39)31(42)26(15-16-29(40)47-34(3,4)5)37-30(41)28-23-25(35-32(43)45-7-2)22-27(36-28)24-13-10-9-11-14-24/h9-11,13-14,22-23,26H,6-8,12,15-21H2,1-5H3,(H,37,41)(H,35,36,43)/t26-/m0/s1
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| InChIKey |
JGSGAHDSNLCYBG-SANMLTNESA-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