General Information of the Compound
| Compound ID |
CP0464092
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| Compound Name |
US8859596, 156
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| Formula |
C23H30F6N4O2
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| Molecular Weight |
508.507
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| Canonical SMILES |
Cn1c(c\c(=N\C(=O)c2cc(ccc2ONC(C)(C)C)C(F)(F)F)n1CCC(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C23H30F6N4O2/c1-20(2,3)17-13-18(33(32(17)7)11-10-22(24,25)26)30-19(34)15-12-14(23(27,28)29)8-9-16(15)35-31-21(4,5)6/h8-9,12-13,31H,10-11H2,1-7H3/b30-18-
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| InChIKey |
QHJLVPVOHVMMBQ-YKQZZPSBSA-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