General Information of the Compound
| Compound ID |
CP0901736
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| Compound Name |
5-(4-Chlorophenyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-6-(cyclopropylmethoxy)-3-pyridinecarboxamide
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| Structure |
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| Formula |
C22H25ClN2O3
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| Molecular Weight |
400.906
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| Canonical SMILES |
C[C@](O)(CNC(=O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1)C1CC1
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| InChI |
InChI=1S/C22H25ClN2O3/c1-22(27,17-6-7-17)13-25-20(26)16-10-19(15-4-8-18(23)9-5-15)21(24-11-16)28-12-14-2-3-14/h4-5,8-11,14,17,27H,2-3,6-7,12-13H2,1H3,(H,25,26)/t22-/m0/s1
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| InChIKey |
BXGFSSIWENBFKG-QFIPXVFZSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2