General Information of the Compound
| Compound ID |
CP0404951
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| Compound Name |
4-oxo-7-phenylsulfanyl-1-(4-phenylsulfanylbutyl)-N-[(1R,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C36H40N2O2S2
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| Molecular Weight |
596.862
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| Canonical SMILES |
CC1(C)C2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCSc2ccccc2)c2cc(Sc3ccccc3)ccc2c1=O
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| InChI |
InChI=1S/C36H40N2O2S2/c1-35(2)25-18-19-36(3,23-25)34(35)37-33(40)30-24-38(20-10-11-21-41-26-12-6-4-7-13-26)31-22-28(16-17-29(31)32(30)39)42-27-14-8-5-9-15-27/h4-9,12-17,22,24-25,34H,10-11,18-21,23H2,1-3H3,(H,37,40)/t25?,34-,36-/m1/s1
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| InChIKey |
KTGFGPPGPOJURC-MGJZLRMMSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2