General Information of the Compound
| Compound ID |
CP0389707
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| Compound Name |
1-(1-benzyl-3-propan-2-yl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)ethanone
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| Structure |
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| Formula |
C21H26N2O
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| Molecular Weight |
322.452
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| Canonical SMILES |
CC(C)C1CN(Cc2ccccc2)c2ccccc2CN1C(C)=O
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| InChI |
InChI=1S/C21H26N2O/c1-16(2)21-15-22(13-18-9-5-4-6-10-18)20-12-8-7-11-19(20)14-23(21)17(3)24/h4-12,16,21H,13-15H2,1-3H3
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| InChIKey |
JZOMOBOFDPCHDE-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