General Information of the Compound
| Compound ID |
CP0406241
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| Compound Name |
N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C25H36ClN3O
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| Molecular Weight |
430.036
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| Canonical SMILES |
Clc1ccc(cc1)N1CCN(CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C25H36ClN3O/c26-22-3-5-23(6-4-22)29-11-9-28(10-12-29)8-2-1-7-27-24(30)25-16-19-13-20(17-25)15-21(14-19)18-25/h3-6,19-21H,1-2,7-18H2,(H,27,30)
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| InChIKey |
SIXUZLJWMWYQSF-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: PT01161, D(4) dopamine receptor