General Information of the Compound
| Compound ID |
CP0452714
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| Compound Name |
N-[3-[[5-chloro-2-[4-(imidazol-1-ylmethyl)-2-methoxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C24H22ClN7O2
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| Molecular Weight |
475.94
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| Canonical SMILES |
COc1cc(Cn2ccnc2)ccc1Nc1ncc(Cl)c(Nc2cccc(NC(=O)C=C)c2)n1
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| InChI |
InChI=1S/C24H22ClN7O2/c1-3-22(33)28-17-5-4-6-18(12-17)29-23-19(25)13-27-24(31-23)30-20-8-7-16(11-21(20)34-2)14-32-10-9-26-15-32/h3-13,15H,1,14H2,2H3,(H,28,33)(H2,27,29,30,31)
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| InChIKey |
WBNROVQHGIUYRL-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