General Information of the Compound
| Compound ID |
CP0375518
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| Compound Name |
(4S)4-{[(4-{[(2-Methoxyethoxy)carbonyl]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 |
C35H49N5O9
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| Molecular Weight |
683.803
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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)OCCOC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C35H49N5O9/c1-6-7-11-20-48-34(45)40-18-16-39(17-19-40)32(43)27(14-15-30(41)49-35(2,3)4)38-31(42)29-24-26(36-33(44)47-22-21-46-5)23-28(37-29)25-12-9-8-10-13-25/h8-10,12-13,23-24,27H,6-7,11,14-22H2,1-5H3,(H,38,42)(H,36,37,44)/t27-/m0/s1
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| InChIKey |
YMFPCZLGSOEPJQ-MHZLTWQESA-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