General Information of the Compound
| Compound ID |
CP0385457
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| Compound Name |
N-[(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
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| Structure |
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| Formula |
C27H33N5O4
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| Molecular Weight |
491.592
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| Canonical SMILES |
COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4OC)cc3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C27H33N5O4/c1-27(2)21-16-32(29-26(21)20-10-9-19(34-3)15-24(20)36-27)18-28-25(33)17-30-11-13-31(14-12-30)22-7-5-6-8-23(22)35-4/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
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| InChIKey |
ZKLZJXGGGOMHIM-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