General Information of the Compound
| Compound ID |
CP0401178
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| Compound Name |
US8846730, 44
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| Formula |
C25H32F3N3O3S
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| Molecular Weight |
511.61
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| Canonical SMILES |
CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCN2)C(F)(F)F)s1
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| InChI |
InChI=1S/C25H32F3N3O3S/c1-24(2,3)21-14-31(13-18-7-5-11-33-18)23(35-21)30-22(32)19-12-16(25(26,27)28)8-9-20(19)34-15-17-6-4-10-29-17/h8-9,12,14,17-18,29H,4-7,10-11,13,15H2,1-3H3/b30-23-/t17-,18+/m0/s1
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| InChIKey |
QSGIWDBKEJQVSN-KCRJNBJESA-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