General Information of the Compound
| Compound ID |
CP0492038
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| Compound Name |
N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-4-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-4-oxobutanamide
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| Structure |
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| Formula |
C32H40N6O5
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| Molecular Weight |
588.709
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)CCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)nc(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C32H40N6O5/c1-32(2,3)36-29(40)21-37-16-18-38(19-17-37)30(41)15-14-28(39)34-27-20-26(22-6-10-24(42-4)11-7-22)33-31(35-27)23-8-12-25(43-5)13-9-23/h6-13,20H,14-19,21H2,1-5H3,(H,36,40)(H,33,34,35,39)
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| InChIKey |
CJSCYLONMCUSQH-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