General Information of the Compound
| Compound ID |
CP0494774
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| Compound Name |
(S)-5-oxo-4-(6-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)-2-phenylpyrimidine-4-carboxamido)-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C36H50N8O7
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| Molecular Weight |
706.845
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1
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| InChI |
InChI=1S/C36H50N8O7/c1-2-3-9-24-51-36(50)44-22-20-43(21-23-44)35(49)28(12-13-32(46)47)38-34(48)29-25-30(39-33(37-29)27-10-5-4-6-11-27)41-18-16-40(17-19-41)26-31(45)42-14-7-8-15-42/h4-6,10-11,25,28H,2-3,7-9,12-24,26H2,1H3,(H,38,48)(H,46,47)/t28-/m0/s1
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| InChIKey |
YYMWYDNBNYHNJD-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