General Information of the Compound
| Compound ID |
CP0536445
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| Compound Name |
N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinoline-7-carboxamide
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| Structure |
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| Formula |
C29H31F3N4O
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| Molecular Weight |
508.588
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| Canonical SMILES |
CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3ccccc3)cc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C29H31F3N4O/c1-34-11-13-35(14-12-34)19-21-15-25(29(30,31)32)18-26(16-21)33-28(37)23-8-7-22-9-10-36(20-24(22)17-23)27-5-3-2-4-6-27/h2-8,15-18H,9-14,19-20H2,1H3,(H,33,37)
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| InChIKey |
FWKRCZKMCJOFNG-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: PT02113, Epithelial discoidin domain-containing receptor 1
Protein ID: PT01071, Tyrosine-protein kinase ABL1