General Information of the Compound
| Compound ID |
CP0389501
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| Compound Name |
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)methyl]acetamide
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| Structure |
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| Formula |
C28H35N5O3
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| Molecular Weight |
489.62
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| Canonical SMILES |
COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4cccc(C)c4C)cc3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C28H35N5O3/c1-19-7-6-8-24(20(19)2)32-13-11-31(12-14-32)17-26(34)29-18-33-16-23-27(30-33)22-10-9-21(35-5)15-25(22)36-28(23,3)4/h6-10,15-16H,11-14,17-18H2,1-5H3,(H,29,34)
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| InChIKey |
QRPBGMJWBJNCHY-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT05453, G-protein coupled receptor 55