General Information of the Compound
| Compound ID |
CP0578417
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| Compound Name |
N-[4-[1-[3-(dimethylamino)propyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
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| Structure |
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| Formula |
C34H36N4O2
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| Molecular Weight |
532.688
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| Canonical SMILES |
CN(C)CCCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc12
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| InChI |
InChI=1S/C34H36N4O2/c1-36(2)22-10-23-37-24-11-25-38(32-17-9-8-16-31(32)37)34(40)27-18-20-28(21-19-27)35-33(39)30-15-7-6-14-29(30)26-12-4-3-5-13-26/h3-9,12-21H,10-11,22-25H2,1-2H3,(H,35,39)
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| InChIKey |
MDAVRHDWJMTMLJ-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