General Information of the Compound
| Compound ID |
CP0577519
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| Compound Name |
N-[3-methyl-4-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
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| Structure |
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| Formula |
C37H40N4O3
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| Molecular Weight |
588.752
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| Canonical SMILES |
Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
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| InChI |
InChI=1S/C37H40N4O3/c1-28-27-30(38-36(42)33-14-6-5-13-32(33)29-11-3-2-4-12-29)17-18-31(28)37(43)41-22-10-21-40(34-15-7-8-16-35(34)41)20-9-19-39-23-25-44-26-24-39/h2-8,11-18,27H,9-10,19-26H2,1H3,(H,38,42)
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| InChIKey |
YSLXWUFMIJCQAD-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