General Information of the Compound
| Compound ID |
CP0425094
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| Compound Name |
US8846730, 67
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| Formula |
C25H29F3N4O3S
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| Molecular Weight |
522.593
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| Canonical SMILES |
Cn1cncc1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C25H29F3N4O3S/c1-24(2,3)21-13-32(12-18-6-5-9-34-18)23(36-21)30-22(33)19-10-16(25(26,27)28)7-8-20(19)35-14-17-11-29-15-31(17)4/h7-8,10-11,13,15,18H,5-6,9,12,14H2,1-4H3/b30-23-/t18-/m1/s1
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| InChIKey |
SYJWMVWAIGMWEZ-ABWHMFLMSA-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