General Information of the Compound
| Compound ID |
CP0573605
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| Compound Name |
(1R,2R)-2-phenyl-N-[[5-[3-(trifluoromethoxy)phenyl]isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C27H21F3N2O2
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| Molecular Weight |
462.471
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| Canonical SMILES |
FC(F)(F)Oc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2cnccc12
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| InChI |
InChI=1S/C27H21F3N2O2/c28-27(29,30)34-20-8-4-7-18(13-20)21-10-9-19(25-16-31-12-11-22(21)25)15-32-26(33)24-14-23(24)17-5-2-1-3-6-17/h1-13,16,23-24H,14-15H2,(H,32,33)/t23-,24+/m0/s1
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| InChIKey |
PQKXFBXKRSXFBQ-BJKOFHAPSA-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