General Information of the Compound
| Compound ID |
CP0567789
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| Compound Name |
2-(4-methylphenyl)-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 |
C37H40N4O3
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| Molecular Weight |
588.752
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| Canonical SMILES |
Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
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| InChI |
InChI=1S/C37H40N4O3/c1-28-12-14-29(15-13-28)32-8-2-3-9-33(32)36(42)38-31-18-16-30(17-19-31)37(43)41-23-7-22-40(34-10-4-5-11-35(34)41)21-6-20-39-24-26-44-27-25-39/h2-5,8-19H,6-7,20-27H2,1H3,(H,38,42)
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| InChIKey |
CUNVXUJEYJDIJS-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