General Information of the Compound
| Compound ID |
CP0396287
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| Compound Name |
(3R,5S)-3,5-dimethyl-N-pyridin-3-yl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
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| Structure |
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| Formula |
C22H22F3N5OS
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| Molecular Weight |
461.513
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| Canonical SMILES |
C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1
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| InChI |
InChI=1S/C22H22F3N5OS/c1-14-12-29(13-17-11-27-20(32-17)22(23,24)25)19-8-4-3-7-18(19)15(2)30(14)21(31)28-16-6-5-9-26-10-16/h3-11,14-15H,12-13H2,1-2H3,(H,28,31)/t14-,15+/m1/s1
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| InChIKey |
GKWAPJKRLCMEES-CABCVRRESA-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: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Protein ID: PT02881, Voltage-dependent T-type calcium channel subunit alpha-1I