General Information of the Compound
| Compound ID |
CP0544120
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| Compound Name |
US8895592, 16
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| Formula |
C23H29N3O2S
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| Molecular Weight |
411.571
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| Canonical SMILES |
CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1OC1CCC1)C#N)C(C)(C)C
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| InChI |
InChI=1S/C23H29N3O2S/c1-15(2)13-26-14-20(23(3,4)5)29-22(26)25-21(27)18-11-16(12-24)9-10-19(18)28-17-7-6-8-17/h9-11,14-15,17H,6-8,13H2,1-5H3/b25-22-
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| InChIKey |
HWNSLBVHLLZKAP-LVWGJNHUSA-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: PT02333, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2