General Information of the Compound
| Compound ID |
CP0437436
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| Compound Name |
3-[(3,5-Bis-trifluoromethyl-benzylamino)-methyl]-2,6,7-trimethyl-4-phenyl-2H-isoquinolin-1-one
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| Structure |
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| Formula |
C28H24F6N2O
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| Molecular Weight |
518.501
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| Canonical SMILES |
Cc1cc2c(-c3ccccc3)c(CNCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)n(C)c(=O)c2cc1C
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| InChI |
InChI=1S/C28H24F6N2O/c1-16-9-22-23(10-17(16)2)26(37)36(3)24(25(22)19-7-5-4-6-8-19)15-35-14-18-11-20(27(29,30)31)13-21(12-18)28(32,33)34/h4-13,35H,14-15H2,1-3H3
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| InChIKey |
XTYCUJXOJHSJKH-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