General Information of the Compound
| Compound ID |
CP0474263
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| Compound Name |
(4-tert-butylphenyl)-[2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl]methanone
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| Structure |
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| Formula |
C24H22F3N3O
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| Molecular Weight |
425.454
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N1Cc2ccc(nc2Nc2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C24H22F3N3O/c1-23(2,3)17-11-8-15(9-12-17)22(31)30-14-16-10-13-20(24(25,26)27)29-21(16)28-18-6-4-5-7-19(18)30/h4-13H,14H2,1-3H3,(H,28,29)
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| InChIKey |
WQJPMCOZOVKSRK-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