General Information of the Compound
| Compound ID |
CP0411899
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| Compound Name |
US8895592, 33
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| Formula |
C24H27F3N4O2S
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| Molecular Weight |
492.567
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| Canonical SMILES |
CCCCn1c2cnccc2s\c1=N/C(=O)c1cc(ccc1OC[C@@H]1CCCN1C)C(F)(F)F
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| InChI |
InChI=1S/C24H27F3N4O2S/c1-3-4-12-31-19-14-28-10-9-21(19)34-23(31)29-22(32)18-13-16(24(25,26)27)7-8-20(18)33-15-17-6-5-11-30(17)2/h7-10,13-14,17H,3-6,11-12,15H2,1-2H3/b29-23-/t17-/m0/s1
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| InChIKey |
OLBHKQSIRBSVEG-GEXONFBESA-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: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2