General Information of the Compound
| Compound ID |
CP0076959
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| Compound Name |
N-[(1S)-1-phenylethyl]-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 |
C36H39F3N4O
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| Molecular Weight |
600.729
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| Canonical SMILES |
C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C36H39F3N4O/c1-25(26-11-4-2-5-12-26)40-35(44)33-30-15-6-7-16-32(30)41-34(27-13-10-14-28(23-27)36(37,38)39)31(33)24-42-21-17-29(18-22-42)43-19-8-3-9-20-43/h2,4-7,10-16,23,25,29H,3,8-9,17-22,24H2,1H3,(H,40,44)/t25-/m0/s1
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| InChIKey |
CPDKCWNAYYOWLG-VWLOTQADSA-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