General Information of the Compound
| Compound ID |
CP0426719
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| Compound Name |
N-[4-[ethyl-[[2-(5-fluoro-2-methoxyphenyl)cyclopropyl]methyl]amino]butyl]naphthalene-2-carboxamide;hydrochloride
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| Structure |
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| Formula |
C28H34ClFN2O2
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| Molecular Weight |
485.043
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| Canonical SMILES |
Cl.CCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1cc(F)ccc1OC
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| InChI |
InChI=1S/C28H33FN2O2.ClH/c1-3-31(19-23-17-25(23)26-18-24(29)12-13-27(26)33-2)15-7-6-14-30-28(32)22-11-10-20-8-4-5-9-21(20)16-22;/h4-5,8-13,16,18,23,25H,3,6-7,14-15,17,19H2,1-2H3,(H,30,32);1H
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| InChIKey |
ASOSBTLEHILKFM-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