General Information of the Compound
Compound ID |
CP0446448
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Compound Name |
(E)-N-(3,4-Difluoro-benzyl)-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-4-methyl-quinolin-6-yl}-3-(4-trifluoromethoxy-phenyl)-acrylamide
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Structure |
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Formula |
C32H31F5N4O2
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Molecular Weight |
598.616
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Canonical SMILES |
CN(C)CCN(C)c1cc(C)c2cc(ccc2n1)N(Cc1ccc(F)c(F)c1)C(=O)\C=C\c1ccc(OC(F)(F)F)cc1
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InChI |
InChI=1S/C32H31F5N4O2/c1-21-17-30(40(4)16-15-39(2)3)38-29-13-9-24(19-26(21)29)41(20-23-7-12-27(33)28(34)18-23)31(42)14-8-22-5-10-25(11-6-22)43-32(35,36)37/h5-14,17-19H,15-16,20H2,1-4H3/b14-8+
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InChIKey |
UBJZWMCHUBXPJC-RIYZIHGNSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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