General Information of the Compound
| Compound ID |
CP0481277
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| Compound Name |
7,8-dimethyl-6-(4-methylsulfonylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
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| Structure |
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| Formula |
C22H20F3N3O4S2
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| Molecular Weight |
511.547
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| Canonical SMILES |
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C22H20F3N3O4S2/c1-13-4-10-18-20(14(13)2)28(12-15-5-11-19(22(23,24)25)27-21(15)26-18)34(31,32)17-8-6-16(7-9-17)33(3,29)30/h4-11H,12H2,1-3H3,(H,26,27)
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| InChIKey |
JQRBMCDLOPKBNY-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
Protein ID: PT01996, Bombesin receptor subtype-3
Protein ID: PT05422, Bombesin receptor subtype-3