General Information of the Compound
| Compound ID |
CP0563033
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| Compound Name |
N-(4-tert-butylphenyl)-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 |
C28H27ClFN3O2
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| Molecular Weight |
491.994
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)CCC2N=C(c3ccccc3F)c3cc(Cl)ccc3NC2=O)cc1
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| InChI |
InChI=1S/C28H27ClFN3O2/c1-28(2,3)17-8-11-19(12-9-17)31-25(34)15-14-24-27(35)33-23-13-10-18(29)16-21(23)26(32-24)20-6-4-5-7-22(20)30/h4-13,16,24H,14-15H2,1-3H3,(H,31,34)(H,33,35)
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| InChIKey |
OQWWWDUFCCGVSV-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