General Information of the Compound
| Compound ID |
CP0473682
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| Compound Name |
(2S,4S)-9-(4-oxidopyrazin-4-ium-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]-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 |
C16H14F3N5O2
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| Molecular Weight |
365.315
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| Canonical SMILES |
[O-][n+]1ccnc(c1)-n1nc(C(=O)NC2(CC2)C(F)(F)F)c2C[C@@H]3C[C@@H]3c12
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| InChI |
InChI=1S/C16H14F3N5O2/c17-16(18,19)15(1-2-15)21-14(25)12-10-6-8-5-9(8)13(10)24(22-12)11-7-23(26)4-3-20-11/h3-4,7-9H,1-2,5-6H2,(H,21,25)/t8-,9-/m0/s1
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| InChIKey |
QPPHCBBJRRBWSW-IUCAKERBSA-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: PT02190, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2