General Information of the Compound
| Compound ID |
CP0570126
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| Compound Name |
N-[4-[1-[3-(diethylamino)propyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
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| Structure |
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| Formula |
C36H40N4O2
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| Molecular Weight |
560.742
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| Canonical SMILES |
CCN(CC)CCCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc12
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| InChI |
InChI=1S/C36H40N4O2/c1-3-38(4-2)24-12-25-39-26-13-27-40(34-19-11-10-18-33(34)39)36(42)29-20-22-30(23-21-29)37-35(41)32-17-9-8-16-31(32)28-14-6-5-7-15-28/h5-11,14-23H,3-4,12-13,24-27H2,1-2H3,(H,37,41)
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| InChIKey |
YARNWMFHCDWZGI-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