General Information of the Compound
| Compound ID |
CP0380920
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| Compound Name |
(4-tert-butylphenyl)-(6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
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| Structure |
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| Formula |
C22H24N2O2
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| Molecular Weight |
348.446
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccc(O)cc21
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| InChI |
InChI=1S/C22H24N2O2/c1-22(2,3)15-6-4-14(5-7-15)21(26)24-11-10-17-18-12-16(25)8-9-19(18)23-20(17)13-24/h4-9,12,23,25H,10-11,13H2,1-3H3
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| InChIKey |
NTWYHWVQCWADJS-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