General Information of the Compound
| Compound ID |
CP0059510
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| Compound Name |
(1S)-1-[6-(trifluoromethyl)pyridin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C19H17F6N3O
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| Molecular Weight |
417.353
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| Canonical SMILES |
C[C@H](NC(=O)N1CCc2ccccc2[C@H]1c1ccc(nc1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C19H17F6N3O/c1-11(18(20,21)22)27-17(29)28-9-8-12-4-2-3-5-14(12)16(28)13-6-7-15(26-10-13)19(23,24)25/h2-7,10-11,16H,8-9H2,1H3,(H,27,29)/t11-,16+/m0/s1
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| InChIKey |
LNASUHVWTPAEAO-MEDUHNTESA-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