General Information of the Compound
| Compound ID |
CP0532691
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| Compound Name |
US8846730, 34
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| Formula |
C27H37F3N4O3S
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| Molecular Weight |
554.679
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| Canonical SMILES |
CN1CCN(C)[C@@H](COc2ccc(cc2C(=O)\N=c2/sc(cn2C[C@H]2CCCO2)C(C)(C)C)C(F)(F)F)C1
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| InChI |
InChI=1S/C27H37F3N4O3S/c1-26(2,3)23-16-34(15-20-7-6-12-36-20)25(38-23)31-24(35)21-13-18(27(28,29)30)8-9-22(21)37-17-19-14-32(4)10-11-33(19)5/h8-9,13,16,19-20H,6-7,10-12,14-15,17H2,1-5H3/b31-25-/t19-,20-/m1/s1
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| InChIKey |
CJQVHJZPYRBXFN-YBRZPMKISA-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