General Information of the Compound
| Compound ID |
CP0447512
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| Compound Name |
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-[({6-phenyl-4-[(trifluoroacetyl)amino]pyridin-2-yl}carbonyl)amino]pentanoic acid
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| Structure |
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| Formula |
C33H42F3N5O7
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| Molecular Weight |
677.721
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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)C(F)(F)F)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C33H42F3N5O7/c1-5-6-10-19-47-31(46)41-17-15-40(16-18-41)29(44)24(13-14-27(42)48-32(2,3)4)39-28(43)26-21-23(37-30(45)33(34,35)36)20-25(38-26)22-11-8-7-9-12-22/h7-9,11-12,20-21,24H,5-6,10,13-19H2,1-4H3,(H,39,43)(H,37,38,45)/t24-/m0/s1
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| InChIKey |
ZWTRYURUDWMFJO-DEOSSOPVSA-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