General Information of the Compound
| Compound ID |
CP0518835
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| Compound Name |
(4S)4-{[(4-{[(3-Aminopropoxy)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 |
C35H50N6O8
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| Molecular Weight |
682.819
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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)OCCCN)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C35H50N6O8/c1-5-6-10-21-48-34(46)41-19-17-40(18-20-41)32(44)27(14-15-30(42)49-35(2,3)4)39-31(43)29-24-26(37-33(45)47-22-11-16-36)23-28(38-29)25-12-8-7-9-13-25/h7-9,12-13,23-24,27H,5-6,10-11,14-22,36H2,1-4H3,(H,39,43)(H,37,38,45)/t27-/m0/s1
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| InChIKey |
ORRNLORMNOHOMN-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