General Information of the Compound
| Compound ID |
CP0575615
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| Compound Name |
N-[4-[1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
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| Structure |
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| Formula |
C35H36N4O3
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| Molecular Weight |
560.698
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCN2CCOCC2)c2ccccc12)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C35H36N4O3/c40-34(31-12-5-4-11-30(31)27-9-2-1-3-10-27)36-29-17-15-28(16-18-29)35(41)39-20-8-19-38(32-13-6-7-14-33(32)39)22-21-37-23-25-42-26-24-37/h1-7,9-18H,8,19-26H2,(H,36,40)
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| InChIKey |
JMUUXNMGQWZSDO-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