General Information of the Compound
| Compound ID |
CP0463801
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| Compound Name |
(2S,4S)-9-(4-oxidopyrazin-4-ium-2-yl)-N-[1-(trifluoromethyl)cyclobutyl]-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 |
C17H16F3N5O2
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| Molecular Weight |
379.342
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| Canonical SMILES |
[O-][n+]1ccnc(c1)-n1nc(C(=O)NC2(CCC2)C(F)(F)F)c2C[C@@H]3C[C@@H]3c12
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| InChI |
InChI=1S/C17H16F3N5O2/c18-17(19,20)16(2-1-3-16)22-15(26)13-11-7-9-6-10(9)14(11)25(23-13)12-8-24(27)5-4-21-12/h4-5,8-10H,1-3,6-7H2,(H,22,26)/t9-,10-/m0/s1
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| InChIKey |
LSGUAPNQQTXJTL-UWVGGRQHSA-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