General Information of the Compound
| Compound ID |
CP0380471
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| Compound Name |
(R)-9-Chloro-8-trifluoromethyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
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| Structure |
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| Formula |
C12H13ClF3N3
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| Molecular Weight |
291.704
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| Canonical SMILES |
FC(F)(F)c1cc2NC[C@H]3CNCCN3c2cc1Cl
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| InChI |
InChI=1S/C12H13ClF3N3/c13-9-4-11-10(3-8(9)12(14,15)16)18-6-7-5-17-1-2-19(7)11/h3-4,7,17-18H,1-2,5-6H2/t7-/m1/s1
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| InChIKey |
CZHWKMIRTKUCSN-SSDOTTSWSA-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: PT00939, 5-hydroxytryptamine receptor 2C