General Information of the Compound
| Compound ID |
CP0532000
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| Compound Name |
N-cyclohexyl-2-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-phenylacetamide
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| Structure |
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| Formula |
C29H37FN4O
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| Molecular Weight |
476.64
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCN3CCN(CC(=O)N(C4CCCCC4)c4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C29H37FN4O/c30-24-13-14-28-27(20-24)23(21-31-28)8-7-15-32-16-18-33(19-17-32)22-29(35)34(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1,3-4,9-10,13-14,20-21,26,31H,2,5-8,11-12,15-19,22H2
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| InChIKey |
QFHZTAFMZCTOBW-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor