General Information of the Compound
| Compound ID |
CP0391904
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| Compound Name |
3-(4-methylphenyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-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 |
Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
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| InChI |
InChI=1S/C14H17N3/c1-10-2-4-11(5-3-10)14-12-6-8-15-9-7-13(12)16-17-14/h2-5,15H,6-9H2,1H3,(H,16,17)
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| InChIKey |
LWNZEHWQIHUHGP-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT02507, 5-hydroxytryptamine receptor 1E
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT01307, 5-hydroxytryptamine receptor 4
Protein ID: PT01513, 5-hydroxytryptamine receptor 5A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6