General Information of the Compound
| Compound ID |
CP0382988
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| Compound Name |
4,5,6,7,9,10-Hexahydro-8H-5,7a-diaza-benzo[cd]cyclopenta[a]azulene
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| Structure |
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| Formula |
C14H16N2
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| Molecular Weight |
212.296
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| Canonical SMILES |
C1Cc2c(C1)c1cccc3CNCCn2c13
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| InChI |
InChI=1S/C14H16N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,15H,2,4,6-9H2
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| InChIKey |
DPHFYUMHDPCCRU-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: PT00939, 5-hydroxytryptamine receptor 2C