General Information of the Compound
| Compound ID |
CP0402742
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| Compound Name |
(2S,4S)-N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-9-(4-oxidopyrazin-4-ium-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
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| Structure |
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| Formula |
C18H22FN5O2
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| Molecular Weight |
359.405
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| Canonical SMILES |
CC(C)(C)[C@@H](CF)NC(=O)c1nn(c2[C@H]3C[C@H]3Cc12)-c1c[n+]([O-])ccn1
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| InChI |
InChI=1S/C18H22FN5O2/c1-18(2,3)13(8-19)21-17(25)15-12-7-10-6-11(10)16(12)24(22-15)14-9-23(26)5-4-20-14/h4-5,9-11,13H,6-8H2,1-3H3,(H,21,25)/t10-,11-,13+/m0/s1
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| InChIKey |
IKXXNANBPFEGKO-GMXVVIOVSA-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: PT02190, Cannabinoid receptor 1
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2