General Information of the Compound
| Compound ID |
CP0335817
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| Compound Name |
1-(11'H-Spiro[cyclopentane-1,10'-dibenzo[b,f]oxepin]-3-yl)-3-azetidinecarboxylic Acid
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| Structure |
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| Formula |
C22H23NO3
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| Molecular Weight |
349.43
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| Canonical SMILES |
OC(=O)C1CN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21
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| InChI |
InChI=1S/C22H23NO3/c24-21(25)16-13-23(14-16)17-9-10-22(12-17)11-15-5-1-3-7-19(15)26-20-8-4-2-6-18(20)22/h1-8,16-17H,9-14H2,(H,24,25)
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| InChIKey |
IRGGYSVFJCBILG-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
Protein ID: PT01206, Histamine H1 receptor