General Information of the Compound
| Compound ID |
CP0562120
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| Compound Name |
3-pyrazin-2-yl-N-[1-(trifluoromethyl)cyclobutyl]-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
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| Structure |
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| Formula |
C18H18F3N5O2
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| Molecular Weight |
393.369
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| Canonical SMILES |
FC(F)(F)C1(CCC1)NC(=O)c1nn(c2C3CCC(Cc12)O3)-c1cnccn1
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| InChI |
InChI=1S/C18H18F3N5O2/c19-18(20,21)17(4-1-5-17)24-16(27)14-11-8-10-2-3-12(28-10)15(11)26(25-14)13-9-22-6-7-23-13/h6-7,9-10,12H,1-5,8H2,(H,24,27)
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| InChIKey |
KODPCEVIFQEROT-UHFFFAOYSA-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