General Information of the Compound
| Compound ID |
CP0477430
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| Compound Name |
N-[5-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-3-piperidin-1-ylpyridin-2-yl]oxy-2-(trifluoromethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C32H37F3N6O3
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| Molecular Weight |
610.681
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| Canonical SMILES |
COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(c(NC(=O)C=C)c2)C(F)(F)F)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C32H37F3N6O3/c1-4-30(42)37-26-21-23(9-10-24(26)32(33,34)35)44-31-27(41-14-6-5-7-15-41)12-13-29(38-31)36-25-11-8-22(20-28(25)43-3)40-18-16-39(2)17-19-40/h4,8-13,20-21H,1,5-7,14-19H2,2-3H3,(H,36,38)(H,37,42)
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| InChIKey |
SUGZGJPNARHPMK-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