General Information of the Compound
| Compound ID |
CP0472379
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| Compound Name |
US8846730, 59
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| Formula |
C26H34N4O3S
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| Molecular Weight |
482.65
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| Canonical SMILES |
CN1CCC[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C#N
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| InChI |
InChI=1S/C26H34N4O3S/c1-26(2,3)23-16-30(15-20-8-6-12-32-20)25(34-23)28-24(31)21-13-18(14-27)9-10-22(21)33-17-19-7-5-11-29(19)4/h9-10,13,16,19-20H,5-8,11-12,15,17H2,1-4H3/b28-25-/t19-,20+/m0/s1
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| InChIKey |
IBKAXPKGWWMQEZ-REDHUJKPSA-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