General Information of the Compound
| Compound ID |
CP0421765
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| Compound Name |
1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperidine-4-carbonitrile
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| Structure |
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| Formula |
C21H20ClN3
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| Molecular Weight |
349.865
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCN(Cc2c[nH]c3ccccc23)CC1)C#N
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| InChI |
InChI=1S/C21H20ClN3/c22-18-7-5-17(6-8-18)21(15-23)9-11-25(12-10-21)14-16-13-24-20-4-2-1-3-19(16)20/h1-8,13,24H,9-12,14H2
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| InChIKey |
XWQQVXPJZWZEFN-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor