General Information of the Compound
| Compound ID |
CP0423563
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| Compound Name |
6-(4-tert-butylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
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| Structure |
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| Formula |
C23H22F3N3O2S
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| Molecular Weight |
461.509
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N3O2S/c1-22(2,3)16-9-11-17(12-10-16)32(30,31)29-14-15-8-13-20(23(24,25)26)28-21(15)27-18-6-4-5-7-19(18)29/h4-13H,14H2,1-3H3,(H,27,28)
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| InChIKey |
PDFNEHIIEMPNSC-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