General Information of the Compound
| Compound ID |
CP0441856
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| Compound Name |
6-(4-tert-butylphenyl)sulfonyl-2-chloro-3-fluoro-7,8-dimethyl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
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| Structure |
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| Formula |
C24H25ClFN3O2S
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| Molecular Weight |
474.001
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| Canonical SMILES |
Cc1ccc2Nc3nc(Cl)c(F)cc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C24H25ClFN3O2S/c1-14-6-11-20-21(15(14)2)29(13-16-12-19(26)22(25)28-23(16)27-20)32(30,31)18-9-7-17(8-10-18)24(3,4)5/h6-12H,13H2,1-5H3,(H,27,28)
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| InChIKey |
ZKROOAYEQKFVCJ-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