General Information of the Compound
| Compound ID |
CP0460051
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| Compound Name |
8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-pyrido[3,2-g]quinoline-2-carbonitrile
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| Structure |
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| Formula |
C16H14F3N3
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| Molecular Weight |
305.303
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| Canonical SMILES |
CC1(C)CCc2cc3c(cc(nc3cc2N1)C#N)C(F)(F)F
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| InChI |
InChI=1S/C16H14F3N3/c1-15(2)4-3-9-5-11-12(16(17,18)19)6-10(8-20)21-14(11)7-13(9)22-15/h5-7,22H,3-4H2,1-2H3
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| InChIKey |
LHQICPSUYGARIS-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