General Information of the Compound
| Compound ID |
CP0577674
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| Compound Name |
5-fluoro-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 |
C31H35FN4O3
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| Molecular Weight |
530.644
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| Canonical SMILES |
Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
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| InChI |
InChI=1S/C31H35FN4O3/c1-23-8-11-25(32)22-27(23)30(37)33-26-12-9-24(10-13-26)31(38)36-17-5-16-35(28-6-2-3-7-29(28)36)15-4-14-34-18-20-39-21-19-34/h2-3,6-13,22H,4-5,14-21H2,1H3,(H,33,37)
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| InChIKey |
CRXBUFVNUNBIKE-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