General Information of the Compound
| Compound ID |
CP0431105
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| Compound Name |
N-[4-[[2-(4-fluorophenyl)cyclopropyl]methyl-propylamino]butyl]-4-pyridin-2-ylbenzamide;hydrochloride
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| Structure |
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| Formula |
C29H35ClFN3O
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| Molecular Weight |
496.07
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| Canonical SMILES |
Cl.CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccn1)CC1CC1c1ccc(F)cc1
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| InChI |
InChI=1S/C29H34FN3O.ClH/c1-2-18-33(21-25-20-27(25)22-12-14-26(30)15-13-22)19-6-5-17-32-29(34)24-10-8-23(9-11-24)28-7-3-4-16-31-28;/h3-4,7-16,25,27H,2,5-6,17-21H2,1H3,(H,32,34);1H
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| InChIKey |
UPSLMFYEFVDMCK-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