General Information of the Compound
| Compound ID |
CP0447620
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| Compound Name |
N-(3-tert-butylphenyl)-6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
CC(C)(C)c1cccc(NC(=O)N2CCc3c(C2)[nH]c2ccc(O)cc32)c1
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| InChI |
InChI=1S/C22H25N3O2/c1-22(2,3)14-5-4-6-15(11-14)23-21(27)25-10-9-17-18-12-16(26)7-8-19(18)24-20(17)13-25/h4-8,11-12,24,26H,9-10,13H2,1-3H3,(H,23,27)
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| InChIKey |
SQFKPPTZMUHVSM-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