General Information of the Compound
| Compound ID |
CP0279245
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| Compound Name |
1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dibenzo[a,d]-cyclohepten]-3-yl)-3-azetidinecarboxylic Acid
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| Structure |
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| Formula |
C23H25NO2
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| Molecular Weight |
347.458
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| Canonical SMILES |
OC(=O)C1CN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21
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| InChI |
InChI=1S/C23H25NO2/c25-22(26)19-14-24(15-19)20-9-10-23(13-20)12-18-7-2-1-5-16(18)11-17-6-3-4-8-21(17)23/h1-8,19-20H,9-15H2,(H,25,26)/t20?,23-/m0/s1
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| InChIKey |
CXDSZAINFKAKPN-AKRCKQFNSA-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