General Information of the Compound
| Compound ID |
CP0579383
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| Compound Name |
N-[4-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C36H38N4O3
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| Molecular Weight |
574.725
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C36H38N4O3/c41-35(30-14-12-29(13-15-30)28-8-2-1-3-9-28)37-32-18-16-31(17-19-32)36(42)40-23-7-22-39(33-10-4-5-11-34(33)40)21-6-20-38-24-26-43-27-25-38/h1-5,8-19H,6-7,20-27H2,(H,37,41)
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| InChIKey |
LTHNPWRWHKXUMA-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