General Information of the Compound
| Compound ID |
CP0054525
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| Compound Name |
(3S)-N-[4-(difluoromethoxy)phenyl]-3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepine-7-sulfonamide
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| Structure |
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| Formula |
C19H19F2N3O5S
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| Molecular Weight |
439.44
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| Canonical SMILES |
CC[C@]1(C)NC(=O)c2cc(ccc2NC1=O)S(=O)(=O)Nc1ccc(OC(F)F)cc1
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| InChI |
InChI=1S/C19H19F2N3O5S/c1-3-19(2)17(26)22-15-9-8-13(10-14(15)16(25)23-19)30(27,28)24-11-4-6-12(7-5-11)29-18(20)21/h4-10,18,24H,3H2,1-2H3,(H,22,26)(H,23,25)/t19-/m0/s1
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| InChIKey |
QBHUGPKPNMGAOH-IBGZPJMESA-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