General Information of the Compound
| Compound ID |
CP0382968
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| Compound Name |
N-[4-[propyl-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]amino]butyl]naphthalene-2-carboxamide;hydrochloride
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| Structure |
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| Formula |
C29H34ClF3N2O
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| Molecular Weight |
519.051
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| Canonical SMILES |
Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H33F3N2O.ClH/c1-2-16-34(20-25-19-27(25)22-11-13-26(14-12-22)29(30,31)32)17-6-5-15-33-28(35)24-10-9-21-7-3-4-8-23(21)18-24;/h3-4,7-14,18,25,27H,2,5-6,15-17,19-20H2,1H3,(H,33,35);1H
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| InChIKey |
BAYXXWOZZGZJHZ-UHFFFAOYSA-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor