General Information of the Compound
| Compound ID |
CP0481364
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| Compound Name |
7,8-dimethyl-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
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| Structure |
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| Formula |
C22H17F6N3O2S
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| Molecular Weight |
501.452
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| Canonical SMILES |
Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C22H17F6N3O2S/c1-12-3-9-17-19(13(12)2)31(11-14-4-10-18(22(26,27)28)30-20(14)29-17)34(32,33)16-7-5-15(6-8-16)21(23,24)25/h3-10H,11H2,1-2H3,(H,29,30)
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| InChIKey |
SZFPLTZHLNJOFR-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: PT05422, Bombesin receptor subtype-3
Protein ID: PT01996, Bombesin receptor subtype-3