General Information of the Compound
| Compound ID |
CP0426449
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| Compound Name |
10-Azetidin-1-yl-6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene
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| Structure |
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| Formula |
C13H17N5
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| Molecular Weight |
243.314
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| Canonical SMILES |
C1CN(C1)c1c2CCNCCc2nc2ccnn12
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| InChI |
InChI=1S/C13H17N5/c1-8-17(9-1)13-10-2-5-14-6-3-11(10)16-12-4-7-15-18(12)13/h4,7,14H,1-3,5-6,8-9H2
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| InChIKey |
OXSBNXICTJBRGD-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