General Information of the Compound
| Compound ID |
CP0519761
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| Compound Name |
(3R,5S)-1-benzyl-3,5-dimethyl-4-(1-methylimidazol-4-yl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine
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| Structure |
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| Formula |
C22H26N4O2S
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| Molecular Weight |
410.543
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H](C)N1S(=O)(=O)c1cn(C)cn1
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| InChI |
InChI=1S/C22H26N4O2S/c1-17-13-25(14-19-9-5-4-6-10-19)21-12-8-7-11-20(21)18(2)26(17)29(27,28)22-15-24(3)16-23-22/h4-12,15-18H,13-14H2,1-3H3/t17-,18+/m1/s1
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| InChIKey |
QGXCVEORRPKPGU-MSOLQXFVSA-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