General Information of the Compound
| Compound ID |
CP0544948
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| Compound Name |
4-fluoro-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 |
C30H33FN4O3
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| Molecular Weight |
516.617
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
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| InChI |
InChI=1S/C30H33FN4O3/c31-25-11-7-23(8-12-25)29(36)32-26-13-9-24(10-14-26)30(37)35-18-4-17-34(27-5-1-2-6-28(27)35)16-3-15-33-19-21-38-22-20-33/h1-2,5-14H,3-4,15-22H2,(H,32,36)
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| InChIKey |
SQARGTVFGVLOFV-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