General Information of the Compound
| Compound ID |
CP0449020
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| Compound Name |
N-[[4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-yl]methyl]acetamide
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| Structure |
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| Formula |
C23H26ClN3O
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| Molecular Weight |
395.934
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| Canonical SMILES |
CC(=O)NCC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H26ClN3O/c1-17(28)26-16-23(19-6-8-20(24)9-7-19)10-12-27(13-11-23)15-18-14-25-22-5-3-2-4-21(18)22/h2-9,14,25H,10-13,15-16H2,1H3,(H,26,28)
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| InChIKey |
CMFMZBLAQQULNF-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