General Information of the Compound
| Compound ID |
CP0577517
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| Compound Name |
2-methyl-N-[4-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]benzamide
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| Structure |
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| Formula |
C31H36N4O3
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| Molecular Weight |
512.654
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| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
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| InChI |
InChI=1S/C31H36N4O3/c1-24-8-2-3-9-27(24)30(36)32-26-14-12-25(13-15-26)31(37)35-19-7-18-34(28-10-4-5-11-29(28)35)17-6-16-33-20-22-38-23-21-33/h2-5,8-15H,6-7,16-23H2,1H3,(H,32,36)
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| InChIKey |
BZBSFTDJDLHACY-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