General Information of the Compound
| Compound ID |
CP0453704
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| Compound Name |
1-[4-(trifluoromethyl)pyrimidin-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
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| Structure |
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| Formula |
C11H13F3N4
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| Molecular Weight |
258.247
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| Canonical SMILES |
FC(F)(F)c1ccnc(n1)N1CCC2CNCC12
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| InChI |
InChI=1S/C11H13F3N4/c12-11(13,14)9-1-3-16-10(17-9)18-4-2-7-5-15-6-8(7)18/h1,3,7-8,15H,2,4-6H2
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| InChIKey |
LGUHTSNWHUTCTC-UHFFFAOYSA-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