General Information of the Compound
| Compound ID |
CP0498478
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| Compound Name |
4-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-4-oxobutanamide
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| Structure |
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| Formula |
C35H38N6O5
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| Molecular Weight |
622.726
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)CCC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)nc(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C35H38N6O5/c1-45-28-12-8-26(9-13-28)30-22-31(39-35(37-30)27-10-14-29(46-2)15-11-27)38-32(42)16-17-34(44)41-20-18-40(19-21-41)24-33(43)36-23-25-6-4-3-5-7-25/h3-15,22H,16-21,23-24H2,1-2H3,(H,36,43)(H,37,38,39,42)
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| InChIKey |
FWZWLDWSFYCQLH-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