General Information of the Compound
| Compound ID |
CP0465743
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| Compound Name |
N-benzyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
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| Structure |
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| Formula |
C35H37F3N4O
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| Molecular Weight |
586.702
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)-c1nc2ccccc2c(C(=O)NCc2ccccc2)c1CN1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C35H37F3N4O/c36-35(37,38)27-13-9-12-26(22-27)33-30(24-41-20-16-28(17-21-41)42-18-7-2-8-19-42)32(29-14-5-6-15-31(29)40-33)34(43)39-23-25-10-3-1-4-11-25/h1,3-6,9-15,22,28H,2,7-8,16-21,23-24H2,(H,39,43)
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| InChIKey |
PMBRGAZGZJVDCD-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: PT04567, Transient receptor potential cation channel subfamily V member 4
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4