General Information of the Compound
| Compound ID |
CP0504798
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| Compound Name |
5,7-difluoro-6-(1H-indol-7-yl)-2,2-dimethyl-2,3-dihydroquinolin-4(1H)-one O-methyl oxime
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| Structure |
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| Formula |
C20H19F2N3O
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| Molecular Weight |
355.388
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| Canonical SMILES |
CO\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12
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| InChI |
InChI=1S/C20H19F2N3O/c1-20(2)10-15(25-26-3)17-14(24-20)9-13(21)16(18(17)22)12-6-4-5-11-7-8-23-19(11)12/h4-9,23-24H,10H2,1-3H3/b25-15+
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| InChIKey |
KLDKGGLBNXZUKN-MFKUBSTISA-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