General Information of the Compound
| Compound ID |
CP0436514
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| Compound Name |
6-bromo-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4-carboxamide
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| Structure |
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| Formula |
C36H35BrF6N4O
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| Molecular Weight |
733.595
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| Canonical SMILES |
FC(F)(F)[C@H](NC(=O)c1c(CN2CCC(CC2)N2CCCCC2)c(nc2ccc(Br)cc12)-c1cccc(c1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C36H35BrF6N4O/c37-26-12-13-30-28(21-26)31(34(48)45-33(36(41,42)43)23-8-3-1-4-9-23)29(32(44-30)24-10-7-11-25(20-24)35(38,39)40)22-46-18-14-27(15-19-46)47-16-5-2-6-17-47/h1,3-4,7-13,20-21,27,33H,2,5-6,14-19,22H2,(H,45,48)/t33-/m1/s1
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| InChIKey |
RXRCDVXUUPQAIB-MGBGTMOVSA-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