General Information of the Compound
| Compound ID |
CP0463439
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[2-phenyl-6-(piperidin-1-ylmethyl)pyrimidine-4-carbonyl]amino]pentanoic acid
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| Structure |
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| Formula |
C29H38N6O6
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| Molecular Weight |
566.659
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CN2CCCCC2)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H38N6O6/c1-2-41-29(40)35-17-15-34(16-18-35)28(39)23(11-12-25(36)37)32-27(38)24-19-22(20-33-13-7-4-8-14-33)30-26(31-24)21-9-5-3-6-10-21/h3,5-6,9-10,19,23H,2,4,7-8,11-18,20H2,1H3,(H,32,38)(H,36,37)/t23-/m0/s1
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| InChIKey |
FNBFXKGKTXQZFN-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