General Information of the Compound
| Compound ID |
CP0461548
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| Compound Name |
US8859596, 35
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| Formula |
C25H29F3N6OS
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| Molecular Weight |
518.609
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| Canonical SMILES |
CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1N\N=C/c1cccc(C)n1)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C25H29F3N6OS/c1-6-7-13-34-23(36-22(33-34)24(3,4)5)31-21(35)19-14-17(25(26,27)28)11-12-20(19)32-29-15-18-10-8-9-16(2)30-18/h8-12,14-15,32H,6-7,13H2,1-5H3/b29-15-,31-23+
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| InChIKey |
IWDFRWZGNACPSR-WKSXEYSBSA-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