General Information of the Compound
| Compound ID |
CP0477779
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| Compound Name |
2-benzyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-d]azepine
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| Structure |
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| Formula |
C14H17N3
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| Molecular Weight |
227.311
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| Canonical SMILES |
C(c1ccccc1)n1cc2CCNCCc2n1
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| InChI |
InChI=1S/C14H17N3/c1-2-4-12(5-3-1)10-17-11-13-6-8-15-9-7-14(13)16-17/h1-5,11,15H,6-10H2
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| InChIKey |
TVPVLONBSRPTBW-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: PT00939, 5-hydroxytryptamine receptor 2C