General Information of the Compound
| Compound ID |
CP0485814
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| Compound Name |
N-[4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]butyl]cyclohexanecarboxamide
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| Structure |
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| Formula |
C28H38ClN3O
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| Molecular Weight |
468.085
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| Canonical SMILES |
Clc1ccc(cc1)C(N1CCN(CCCCNC(=O)C2CCCCC2)CC1)c1ccccc1
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| InChI |
InChI=1S/C28H38ClN3O/c29-26-15-13-24(14-16-26)27(23-9-3-1-4-10-23)32-21-19-31(20-22-32)18-8-7-17-30-28(33)25-11-5-2-6-12-25/h1,3-4,9-10,13-16,25,27H,2,5-8,11-12,17-22H2,(H,30,33)
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| InChIKey |
BYOXBMSRXGFRQY-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