General Information of the Compound
| Compound ID |
CP0399852
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| Compound Name |
2-(3-methoxyphenyl)-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 |
C36H42N4O2
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| Molecular Weight |
562.758
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| Canonical SMILES |
COc1cccc(c1)-c1nc2ccccc2c(C(=O)N[C@@H](C)c2ccccc2)c1CN1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C36H42N4O2/c1-26(27-12-5-3-6-13-27)37-36(41)34-31-16-7-8-17-33(31)38-35(28-14-11-15-30(24-28)42-2)32(34)25-39-22-18-29(19-23-39)40-20-9-4-10-21-40/h3,5-8,11-17,24,26,29H,4,9-10,18-23,25H2,1-2H3,(H,37,41)/t26-/m0/s1
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| InChIKey |
VOJGPFFCYKHEPG-SANMLTNESA-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