General Information of the Compound
| Compound ID |
CP0519138
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| Compound Name |
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-{[(6-phenyl-4-{[1-(trifluoroacetyl)iperidin-4-yl]methoxy}pyridin-2-yl)carbonyl]amino}pentanoic Acid
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| Structure |
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| Formula |
C35H44F3N5O8
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| Molecular Weight |
719.758
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(=O)C(F)(F)F)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C35H44F3N5O8/c1-2-3-7-20-50-34(49)43-18-16-41(17-19-43)32(47)27(10-11-30(44)45)40-31(46)29-22-26(21-28(39-29)25-8-5-4-6-9-25)51-23-24-12-14-42(15-13-24)33(48)35(36,37)38/h4-6,8-9,21-22,24,27H,2-3,7,10-20,23H2,1H3,(H,40,46)(H,44,45)/t27-/m0/s1
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| InChIKey |
YPWGPCGLBYKFRC-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