General Information of the Compound
| Compound ID |
CP0446024
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| Compound Name |
(2S,3aS,6aS)-2-methyl-1-(4-(trifluoromethyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
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| Structure |
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| Formula |
C12H15F3N4
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| Molecular Weight |
272.274
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| Canonical SMILES |
C[C@H]1C[C@H]2CNC[C@H]2N1c1nccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C12H15F3N4/c1-7-4-8-5-16-6-9(8)19(7)11-17-3-2-10(18-11)12(13,14)15/h2-3,7-9,16H,4-6H2,1H3/t7-,8-,9+/m0/s1
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| InChIKey |
BHZWUADTFGRRTH-XHNCKOQMSA-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