General Information of the Compound
| Compound ID |
CP0391692
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| Compound Name |
N-[(1S)-2-methyl-1-phenylpropyl]-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 |
C38H43F3N4O
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| Molecular Weight |
628.783
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| Canonical SMILES |
CC(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/C38H43F3N4O/c1-26(2)35(27-12-5-3-6-13-27)43-37(46)34-31-16-7-8-17-33(31)42-36(28-14-11-15-29(24-28)38(39,40)41)32(34)25-44-22-18-30(19-23-44)45-20-9-4-10-21-45/h3,5-8,11-17,24,26,30,35H,4,9-10,18-23,25H2,1-2H3,(H,43,46)/t35-/m0/s1
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| InChIKey |
ZNDMTAJNNQMINY-DHUJRADRSA-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