General Information of the Compound
| Compound ID |
CP0400612
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| Compound Name |
(Z)-N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-2-(trifluoromethyl)prop-2-enamide
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| Structure |
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| Formula |
C32H29ClF4N6O3
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| Molecular Weight |
657.068
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccc(F)cc3)\C(F)(F)F)c2)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C32H29ClF4N6O3/c1-42-12-14-43(15-13-42)23-10-11-27(28(18-23)45-2)40-31-38-19-26(33)30(41-31)46-24-5-3-4-22(17-24)39-29(44)25(32(35,36)37)16-20-6-8-21(34)9-7-20/h3-11,16-19H,12-15H2,1-2H3,(H,39,44)(H,38,40,41)/b25-16-
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| InChIKey |
HFKPIESUMGRTII-XYGWBWBKSA-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