General Information of the Compound
| Compound ID |
CP0074475
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| Compound Name |
4-[5-chloro-2-(2-methoxyanilino)pyrimidin-4-yl]-2-propan-2-ylbenzamide
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| Structure |
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| Formula |
C21H21ClN4O2
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| Molecular Weight |
396.878
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| Canonical SMILES |
COc1ccccc1Nc1ncc(Cl)c(n1)-c1ccc(C(N)=O)c(c1)C(C)C
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| InChI |
InChI=1S/C21H21ClN4O2/c1-12(2)15-10-13(8-9-14(15)20(23)27)19-16(22)11-24-21(26-19)25-17-6-4-5-7-18(17)28-3/h4-12H,1-3H3,(H2,23,27)(H,24,25,26)
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| InChIKey |
WFYPEDIALDMLKG-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