General Information of the Compound
| Compound ID |
CP0394687
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| Compound Name |
5-[1-(6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]inden-10-yl)-azetidin-3-yloxy]-1,3-dihydro-indol-2-one
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| Structure |
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| Formula |
C21H22N6O2
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| Molecular Weight |
390.447
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| Canonical SMILES |
O=C1Cc2cc(OC3CN(C3)c3c4CCNCCc4nc4ccnn34)ccc2N1
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| InChI |
InChI=1S/C21H22N6O2/c28-20-10-13-9-14(1-2-17(13)25-20)29-15-11-26(12-15)21-16-3-6-22-7-4-18(16)24-19-5-8-23-27(19)21/h1-2,5,8-9,15,22H,3-4,6-7,10-12H2,(H,25,28)
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| InChIKey |
BLAATJSMNSTOKH-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