General Information of the Compound
| Compound ID |
CP0068912
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| Compound Name |
5-chloro-2-(4-chlorophenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
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| Structure |
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| Formula |
C19H23Cl2N3O
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| Molecular Weight |
380.319
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| Canonical SMILES |
Cc1nc(nc(OCCCN2CCCCC2)c1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H23Cl2N3O/c1-14-17(21)19(25-13-5-12-24-10-3-2-4-11-24)23-18(22-14)15-6-8-16(20)9-7-15/h6-9H,2-5,10-13H2,1H3
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| InChIKey |
MSFUOAXHQLXDAO-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1