General Information of the Compound
| Compound ID |
CP0550112
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| Compound Name |
2-phenyl-N-[4-[1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]benzamide
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| Structure |
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| Formula |
C36H38N4O2
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| Molecular Weight |
558.726
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCCC2)c2ccccc12)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C36H38N4O2/c41-35(32-15-5-4-14-31(32)28-12-2-1-3-13-28)37-30-20-18-29(19-21-30)36(42)40-27-11-26-39(33-16-6-7-17-34(33)40)25-10-24-38-22-8-9-23-38/h1-7,12-21H,8-11,22-27H2,(H,37,41)
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| InChIKey |
RFZQQHUSSHYZPS-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