General Information of the Compound
| Compound ID |
CP0542970
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| Compound Name |
1-[(3R,5S)-6-fluoro-3,5-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-3-pyridin-3-ylpropan-1-one
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| Structure |
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| Formula |
C24H24F4N4OS
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| Molecular Weight |
492.542
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| Canonical SMILES |
C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2cccc(F)c2[C@H](C)N1C(=O)CCc1cccnc1
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| InChI |
InChI=1S/C24H24F4N4OS/c1-15-13-31(14-18-12-30-23(34-18)24(26,27)28)20-7-3-6-19(25)22(20)16(2)32(15)21(33)9-8-17-5-4-10-29-11-17/h3-7,10-12,15-16H,8-9,13-14H2,1-2H3/t15-,16+/m1/s1
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| InChIKey |
ZOYSXBYVJKWUNQ-CVEARBPZSA-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