General Information of the Compound
| Compound ID |
CP0441176
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| Compound Name |
2-(3-methylphenyl)-N-[(1S)-1-phenylethyl]-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
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| Structure |
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| Formula |
C36H42N4O
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| Molecular Weight |
546.759
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| Canonical SMILES |
C[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccccc12)-c1cccc(C)c1)c1ccccc1
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| InChI |
InChI=1S/C36H42N4O/c1-26-12-11-15-29(24-26)35-32(25-39-22-18-30(19-23-39)40-20-9-4-10-21-40)34(31-16-7-8-17-33(31)38-35)36(41)37-27(2)28-13-5-3-6-14-28/h3,5-8,11-17,24,27,30H,4,9-10,18-23,25H2,1-2H3,(H,37,41)/t27-/m0/s1
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| InChIKey |
ACHODVGTADPIHB-MHZLTWQESA-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