General Information of the Compound
| Compound ID |
CP0471872
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| Compound Name |
3-[7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-N,N-dipropylpropanamide
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| Structure |
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| Formula |
C24H27ClFN3O2
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| Molecular Weight |
443.95
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| Canonical SMILES |
CCCN(CCC)C(=O)CCC1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O
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| InChI |
InChI=1S/C24H27ClFN3O2/c1-3-13-29(14-4-2)22(30)12-11-21-24(31)28-20-10-9-16(25)15-18(20)23(27-21)17-7-5-6-8-19(17)26/h5-10,15,21H,3-4,11-14H2,1-2H3,(H,28,31)
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| InChIKey |
MILCYISUNJAQSX-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