General Information of the Compound
| Compound ID |
CP0176110
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| Compound Name |
5-[[5-chloro-4-[3-(cyanomethyl)phenyl]pyrimidin-2-yl]amino]-N,N-diethyl-2-(4-methylpiperazin-1-yl)benzamide
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| Structure |
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| Formula |
C28H32ClN7O
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| Molecular Weight |
518.065
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| Canonical SMILES |
CCN(CC)C(=O)c1cc(Nc2ncc(Cl)c(n2)-c2cccc(CC#N)c2)ccc1N1CCN(C)CC1
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| InChI |
InChI=1S/C28H32ClN7O/c1-4-35(5-2)27(37)23-18-22(9-10-25(23)36-15-13-34(3)14-16-36)32-28-31-19-24(29)26(33-28)21-8-6-7-20(17-21)11-12-30/h6-10,17-19H,4-5,11,13-16H2,1-3H3,(H,31,32,33)
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| InChIKey |
MEOWYSKGQKBNMJ-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