General Information of the Compound
| Compound ID |
CP0143982
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| Compound Name |
N-[4-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methyl-propylamino]butyl]naphthalene-2-carboxamide;hydrochloride
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| Structure |
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| Formula |
C28H33Cl3N2O
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| Molecular Weight |
519.944
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| Canonical SMILES |
Cl.CCCN(CCCCNC(=O)c1ccc2ccccc2c1)C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C28H32Cl2N2O.ClH/c1-2-15-32(19-23-18-25(23)24-10-7-11-26(29)27(24)30)16-6-5-14-31-28(33)22-13-12-20-8-3-4-9-21(20)17-22;/h3-4,7-13,17,23,25H,2,5-6,14-16,18-19H2,1H3,(H,31,33);1H/t23-,25+;/m1./s1
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| InChIKey |
FQLSPUQWENSFHP-BUDDBBPTSA-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: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor