General Information of the Compound
| Compound ID |
CP0383767
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| Compound Name |
(4S)4-{[(4-{[(4-Methoxypiperidin-1-yl)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 |
C38H54N6O8
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| Molecular Weight |
722.884
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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)N2CCC(CC2)OC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C38H54N6O8/c1-6-7-11-24-51-37(49)44-22-20-42(21-23-44)35(47)30(14-15-33(45)52-38(2,3)4)41-34(46)32-26-28(25-31(40-32)27-12-9-8-10-13-27)39-36(48)43-18-16-29(50-5)17-19-43/h8-10,12-13,25-26,29-30H,6-7,11,14-24H2,1-5H3,(H,41,46)(H,39,40,48)/t30-/m0/s1
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| InChIKey |
RFUGUUUUSDKZPF-PMERELPUSA-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