General Information of the Compound
| Compound ID |
CP0495133
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| Compound Name |
5-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one
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| Structure |
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| Formula |
C24H28N4O2
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| Molecular Weight |
404.514
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| Canonical SMILES |
O=c1cc(cnn1-c1ccccn1)-c1ccc(OCCCN2CCCCCC2)cc1
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| InChI |
InChI=1S/C24H28N4O2/c29-24-18-21(19-26-28(24)23-8-3-4-13-25-23)20-9-11-22(12-10-20)30-17-7-16-27-14-5-1-2-6-15-27/h3-4,8-13,18-19H,1-2,5-7,14-17H2
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| InChIKey |
YNRFAWWXOCTZKF-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT04865, 5-hydroxytryptamine receptor 3A