General Information of the Compound
| Compound ID |
CP0379024
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| Compound Name |
N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyrido[3,2-g]quinolin-8-yl]-N-methylsulfonylmethanesulfonamide
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| Structure |
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| Formula |
C17H20F3N3O4S2
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| Molecular Weight |
451.492
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| Canonical SMILES |
CC1(C)CCc2cc3c(cc(nc3cc2N1)N(S(C)(=O)=O)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C17H20F3N3O4S2/c1-16(2)6-5-10-7-11-12(17(18,19)20)8-15(21-14(11)9-13(10)22-16)23(28(3,24)25)29(4,26)27/h7-9,22H,5-6H2,1-4H3
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| InChIKey |
HJTGBKGTMOOPIW-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