General Information of the Compound
| Compound ID |
CP0443287
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| Compound Name |
6-hydroxy-1-methyl-N-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
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| Structure |
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| Formula |
C20H18F3N3O2
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| Molecular Weight |
389.377
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| Canonical SMILES |
CC1N(CCc2c1[nH]c1ccc(O)cc21)C(=O)Nc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H18F3N3O2/c1-11-18-15(16-10-14(27)6-7-17(16)25-18)8-9-26(11)19(28)24-13-4-2-12(3-5-13)20(21,22)23/h2-7,10-11,25,27H,8-9H2,1H3,(H,24,28)
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| InChIKey |
NMPUQWLHCXWBAB-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
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1