General Information of the Compound
| Compound ID |
CP0093667
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| Compound Name |
N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]-3-cyclopropylpropanamide
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| Structure |
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| Formula |
C28H33ClN6O3
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| Molecular Weight |
537.064
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CCC3CC3)c2)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C28H33ClN6O3/c1-34-12-14-35(15-13-34)21-9-10-24(25(17-21)37-2)32-28-30-18-23(29)27(33-28)38-22-5-3-4-20(16-22)31-26(36)11-8-19-6-7-19/h3-5,9-10,16-19H,6-8,11-15H2,1-2H3,(H,31,36)(H,30,32,33)
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| InChIKey |
NCWNHUNTEASHMC-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