General Information of the Compound
| Compound ID |
CP0442317
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| Compound Name |
(3aS,6aS)-1-(3-(trifluoromethyl)phenyl)-octahydropyrrolo[3,4-b]pyrrole
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| Structure |
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| Formula |
C13H15F3N2
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| Molecular Weight |
256.271
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CC[C@H]2CNC[C@@H]12
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| InChI |
InChI=1S/C13H15F3N2/c14-13(15,16)10-2-1-3-11(6-10)18-5-4-9-7-17-8-12(9)18/h1-3,6,9,12,17H,4-5,7-8H2/t9-,12+/m0/s1
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| InChIKey |
ZEFKXSVTCBAESN-JOYOIKCWSA-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