General Information of the Compound
| Compound ID |
CP0513934
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| Compound Name |
(4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-({[6-phenyl-4-({[(piperidin-4-ylmethyl)amino]carbonyl}amino)pyridin-2-yl]carbonyl}amino)pentanoic acid
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| Structure |
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| Formula |
C38H55N7O7
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| Molecular Weight |
721.9
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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)NCC2CCNCC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C38H55N7O7/c1-5-6-10-23-51-37(50)45-21-19-44(20-22-45)35(48)30(13-14-33(46)52-38(2,3)4)43-34(47)32-25-29(24-31(42-32)28-11-8-7-9-12-28)41-36(49)40-26-27-15-17-39-18-16-27/h7-9,11-12,24-25,27,30,39H,5-6,10,13-23,26H2,1-4H3,(H,43,47)(H2,40,41,42,49)/t30-/m0/s1
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| InChIKey |
PODCOWUPDXKSIP-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