General Information of the Compound
| Compound ID |
CP0489536
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| Compound Name |
4-(trifluoromethyl)phenyl 4-(quinolin-2-ylmethyl)piperazine-1-carboxylate
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| Structure |
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| Formula |
C22H20F3N3O2
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| Molecular Weight |
415.415
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| Canonical SMILES |
FC(F)(F)c1ccc(OC(=O)N2CCN(Cc3ccc4ccccc4n3)CC2)cc1
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| InChI |
InChI=1S/C22H20F3N3O2/c23-22(24,25)17-6-9-19(10-7-17)30-21(29)28-13-11-27(12-14-28)15-18-8-5-16-3-1-2-4-20(16)26-18/h1-10H,11-15H2
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| InChIKey |
RYJBTTJPHRSGMH-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: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1