General Information of the Compound
| Compound ID |
CP0488879
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| Compound Name |
(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(2-phenyl-6-(piperidin-4-yloxy)pyrimidine-4-carboxamido)pentanoic acid
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| Structure |
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| Formula |
C30H40N6O7
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| Molecular Weight |
596.685
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCNCC2)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C30H40N6O7/c1-2-3-19-42-30(41)36-17-15-35(16-18-36)29(40)23(9-10-26(37)38)33-28(39)24-20-25(43-22-11-13-31-14-12-22)34-27(32-24)21-7-5-4-6-8-21/h4-8,20,22-23,31H,2-3,9-19H2,1H3,(H,33,39)(H,37,38)/t23-/m0/s1
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| InChIKey |
OMLUUSKSADPGDH-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