General Information of the Compound
| Compound ID |
CP0883937
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| Compound Name |
N-(4-Methoxy-3-((1-nicotinoylpiperidin-4-yl)oxy)phenyl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C32H36F3N5O4
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| Molecular Weight |
611.665
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2cccnc2)CC1
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| InChI |
InChI=1S/C32H36F3N5O4/c1-38-14-16-39(17-15-38)21-24-6-5-22(18-27(24)32(33,34)35)30(41)37-25-7-8-28(43-2)29(19-25)44-26-9-12-40(13-10-26)31(42)23-4-3-11-36-20-23/h3-8,11,18-20,26H,9-10,12-17,21H2,1-2H3,(H,37,41)
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| InChIKey |
QNBYTMCGQRLNGJ-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
Protein ID: PT00649, BCR/ABL p210 fusion protein
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit