General Information of the Compound
| Compound ID |
CP0502653
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| Compound Name |
(4S)4-[({4-[({[2-(Dimethylamino)2-oxoethyl]amino}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 |
C36H51N7O8
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| Molecular Weight |
709.845
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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)NCC(=O)N(C)C)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C36H51N7O8/c1-7-8-12-21-50-35(49)43-19-17-42(18-20-43)33(47)27(15-16-31(45)51-36(2,3)4)40-32(46)29-23-26(38-34(48)37-24-30(44)41(5)6)22-28(39-29)25-13-10-9-11-14-25/h9-11,13-14,22-23,27H,7-8,12,15-21,24H2,1-6H3,(H,40,46)(H2,37,38,39,48)/t27-/m0/s1
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| InChIKey |
IQIIIMMKMYGQTN-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