General Information of the Compound
| Compound ID |
CP0442086
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| Compound Name |
5-(2,4-Dichloro-phenyl)-3-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-3H-pyrimidin-4-one
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| Structure |
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| Formula |
C22H21Cl2N3O
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| Molecular Weight |
414.336
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| Canonical SMILES |
Clc1ccc(c(Cl)c1)-c1cncn(C(CN2CCCC2)c2ccccc2)c1=O
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| InChI |
InChI=1S/C22H21Cl2N3O/c23-17-8-9-18(20(24)12-17)19-13-25-15-27(22(19)28)21(14-26-10-4-5-11-26)16-6-2-1-3-7-16/h1-3,6-9,12-13,15,21H,4-5,10-11,14H2
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| InChIKey |
QYHVPBIPLXLQGO-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor