General Information of the Compound
| Compound ID |
CP0422817
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| Compound Name |
6-(3-chloro-1H-indol-7-yl)-5,7-difluoro-3-hydroxy-2,2-dimethyl-2,3-dihydroquinolin-4(1H)-one O-methyl oxime
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| Structure |
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| Formula |
C20H18ClF2N3O2
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| Molecular Weight |
405.832
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| Canonical SMILES |
CO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12
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| InChI |
InChI=1S/C20H18ClF2N3O2/c1-20(2)19(27)18(26-28-3)15-13(25-20)7-12(22)14(16(15)23)10-6-4-5-9-11(21)8-24-17(9)10/h4-8,19,24-25,27H,1-3H3/b26-18-
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| InChIKey |
HIEURQCNSGIVBQ-ITYLOYPMSA-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