General Information of the Compound
| Compound ID |
CP0372388
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| Compound Name |
4-(4-chlorophenyl)-1-((1-hexyl-1H-indol-3-yl)methyl)piperidin-4-ol
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| Structure |
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| Formula |
C26H33ClN2O
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| Molecular Weight |
425.016
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| Canonical SMILES |
CCCCCCn1cc(CN2CCC(O)(CC2)c2ccc(Cl)cc2)c2ccccc12
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| InChI |
InChI=1S/C26H33ClN2O/c1-2-3-4-7-16-29-20-21(24-8-5-6-9-25(24)29)19-28-17-14-26(30,15-18-28)22-10-12-23(27)13-11-22/h5-6,8-13,20,30H,2-4,7,14-19H2,1H3
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| InChIKey |
KHNRAYBLMYKIRA-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