General Information of the Compound
| Compound ID |
CP0471871
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| Compound Name |
N,N-dibutyl-3-[7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanamide
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| Structure |
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| Formula |
C26H31ClFN3O2
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| Molecular Weight |
472.004
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| Canonical SMILES |
CCCCN(CCCC)C(=O)CCC1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O
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| InChI |
InChI=1S/C26H31ClFN3O2/c1-3-5-15-31(16-6-4-2)24(32)14-13-23-26(33)30-22-12-11-18(27)17-20(22)25(29-23)19-9-7-8-10-21(19)28/h7-12,17,23H,3-6,13-16H2,1-2H3,(H,30,33)
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| InChIKey |
MJXCUQSYPPYRRU-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