General Information of the Compound
| Compound ID |
CP0468547
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| Compound Name |
(4R,9aR)-4-methyl-6-trifluoromethyl-1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluorene
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| Structure |
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| Formula |
C12H14F3N3
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| Molecular Weight |
257.259
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| Canonical SMILES |
C[C@@H]1CNC[C@H]2Cc3ccc(nc3N12)C(F)(F)F
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| InChI |
InChI=1S/C12H14F3N3/c1-7-5-16-6-9-4-8-2-3-10(12(13,14)15)17-11(8)18(7)9/h2-3,7,9,16H,4-6H2,1H3/t7-,9-/m1/s1
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| InChIKey |
CTPWPURTEYFXDP-VXNVDRBHSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C