General Information of the Compound
| Compound ID |
CP0571106
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| Compound Name |
US8859596, 205
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| Formula |
C30H37F3N6O3S
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| Molecular Weight |
618.726
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| Canonical SMILES |
CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1N(\N=C\c1cccc(C)n1)C(=O)OC(C)(C)C)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C30H37F3N6O3S/c1-9-10-16-38-26(43-25(37-38)28(3,4)5)36-24(40)22-17-20(30(31,32)33)14-15-23(22)39(27(41)42-29(6,7)8)34-18-21-13-11-12-19(2)35-21/h11-15,17-18H,9-10,16H2,1-8H3/b34-18+,36-26+
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| InChIKey |
AQTPCUKHKIDFHL-KHDJKSMSSA-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