General Information of the Compound
| Compound ID |
CP0543970
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| Compound Name |
N-[4-[[2-(3-chlorophenyl)cyclopropyl]methyl-propylamino]butyl]-1H-indole-2-carboxamide;hydrochloride
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| Structure |
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| Formula |
C26H33Cl2N3O
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| Molecular Weight |
474.476
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| Canonical SMILES |
Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)CC1CC1c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H32ClN3O.ClH/c1-2-13-30(18-21-16-23(21)19-9-7-10-22(27)15-19)14-6-5-12-28-26(31)25-17-20-8-3-4-11-24(20)29-25;/h3-4,7-11,15,17,21,23,29H,2,5-6,12-14,16,18H2,1H3,(H,28,31);1H
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| InChIKey |
JWONIASAOUWOBP-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