General Information of the Compound
| Compound ID |
CP0510611
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| Compound Name |
(4S)4-[({4-[(Morpholin-4-ylacetyl)mino]-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 |
C36H50N6O8
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| Molecular Weight |
694.83
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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)N2CCOCC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C36H50N6O8/c1-5-6-10-21-49-35(47)42-17-15-40(16-18-42)33(45)28(13-14-31(43)50-36(2,3)4)39-32(44)30-25-27(37-34(46)41-19-22-48-23-20-41)24-29(38-30)26-11-8-7-9-12-26/h7-9,11-12,24-25,28H,5-6,10,13-23H2,1-4H3,(H,39,44)(H,37,38,46)/t28-/m0/s1
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| InChIKey |
OUEZBKNJAVJOKN-NDEPHWFRSA-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