General Information of the Compound
| Compound ID |
CP0529856
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| Compound Name |
(S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(4-phenyl-6-(piperazin-1-yl)pyrimidine-2-carboxamido)pentanoic acid
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| Structure |
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| Formula |
C30H41N7O6
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| Molecular Weight |
595.701
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCNCC1
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| InChI |
InChI=1S/C30H41N7O6/c1-2-3-7-20-43-30(42)37-18-16-36(17-19-37)29(41)23(10-11-26(38)39)33-28(40)27-32-24(22-8-5-4-6-9-22)21-25(34-27)35-14-12-31-13-15-35/h4-6,8-9,21,23,31H,2-3,7,10-20H2,1H3,(H,33,40)(H,38,39)/t23-/m0/s1
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| InChIKey |
RGUGTDWQEKCYPW-QHCPKHFHSA-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