General Information of the Compound
| Compound ID |
CP0439393
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| Compound Name |
N-ethyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
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| Structure |
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| Formula |
C12H17N5
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| Molecular Weight |
231.303
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| Canonical SMILES |
CCNc1c2CCNCCc2nc2ccnn12
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| InChI |
InChI=1S/C12H17N5/c1-2-14-12-9-3-6-13-7-4-10(9)16-11-5-8-15-17(11)12/h5,8,13-14H,2-4,6-7H2,1H3
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| InChIKey |
XEJGTSRXQHSTCR-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