General Information of the Compound
| Compound ID |
CP0423565
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| Compound Name |
6-(4-tert-butylphenyl)sulfonyl-2,7,8-trimethyl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
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| Structure |
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| Formula |
C25H29N3O2S
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| Molecular Weight |
435.593
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| Canonical SMILES |
Cc1ccc2CN(c3c(C)c(C)ccc3Nc2n1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C25H29N3O2S/c1-16-7-14-22-23(18(16)3)28(15-19-9-8-17(2)26-24(19)27-22)31(29,30)21-12-10-20(11-13-21)25(4,5)6/h7-14H,15H2,1-6H3,(H,26,27)
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| InChIKey |
VZELSPNRKZDDGT-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