General Information of the Compound
| Compound ID |
CP0447598
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| Compound Name |
1-(6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-(3-phenylphenyl)ethanone
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| Structure |
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| Formula |
C25H22N2O2
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| Molecular Weight |
382.463
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| Canonical SMILES |
Oc1ccc2[nH]c3CN(CCc3c2c1)C(=O)Cc1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C25H22N2O2/c28-20-9-10-23-22(15-20)21-11-12-27(16-24(21)26-23)25(29)14-17-5-4-8-19(13-17)18-6-2-1-3-7-18/h1-10,13,15,26,28H,11-12,14,16H2
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| InChIKey |
JKCWMHBVCJOUKA-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