General Information of the Compound
| Compound ID |
CP0492037
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| Compound Name |
N-benzyl-2-[4-[2-[2-[[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-oxoethoxy]acetyl]piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C35H38N6O6
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| Molecular Weight |
638.725
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)COCC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)nc(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C35H38N6O6/c1-45-28-12-8-26(9-13-28)30-20-31(39-35(37-30)27-10-14-29(46-2)15-11-27)38-33(43)23-47-24-34(44)41-18-16-40(17-19-41)22-32(42)36-21-25-6-4-3-5-7-25/h3-15,20H,16-19,21-24H2,1-2H3,(H,36,42)(H,37,38,39,43)
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| InChIKey |
FOUMCQXZCZVGEH-UHFFFAOYSA-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