General Information of the Compound
| Compound ID |
CP0412254
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| Compound Name |
N-[4-[[2-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl-propylamino]butyl]-1H-indole-2-carboxamide;hydrochloride
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| Structure |
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| Formula |
C27H35Cl2N3O2
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| Molecular Weight |
504.502
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| Canonical SMILES |
Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cc(Cl)ccc1OC
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| InChI |
InChI=1S/C27H34ClN3O2.ClH/c1-3-13-31(18-20-15-22(20)23-17-21(28)10-11-26(23)33-2)14-7-6-12-29-27(32)25-16-19-8-4-5-9-24(19)30-25;/h4-5,8-11,16-17,20,22,30H,3,6-7,12-15,18H2,1-2H3,(H,29,32);1H
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| InChIKey |
XQXLIZUFYLRIQF-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