General Information of the Compound
| Compound ID |
CP0843617
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| Compound Name |
4-(7-methoxy-1,4,4,8-tetramethyl-1,2,3,4-tetrahydroquinoline-6-carbonyl)benzoic acid
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| Structure |
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| Formula |
C22H25NO4
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| Molecular Weight |
367.445
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| Canonical SMILES |
COc1c(C(=O)c2ccc(C(=O)O)cc2)cc2c(c1C)N(C)CCC2(C)C
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| InChI |
InChI=1S/C22H25NO4/c1-13-18-17(22(2,3)10-11-23(18)4)12-16(20(13)27-5)19(24)14-6-8-15(9-7-14)21(25)26/h6-9,12H,10-11H2,1-5H3,(H,25,26)
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| InChIKey |
LRGNSLYOTPKOBO-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