General Information of the Compound
| Compound ID |
CP0501081
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| Compound Name |
3-cyclobutyl-7-[5-(1H-pyrazol-5-yl)pyridin-2-yl]oxy-1,2,4,5-tetrahydro-3-benzazepine
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| Structure |
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| Formula |
C22H24N4O
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| Molecular Weight |
360.461
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| Canonical SMILES |
C1CC(C1)N1CCc2ccc(Oc3ccc(cn3)-c3cc[nH]n3)cc2CC1
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| InChI |
InChI=1S/C22H24N4O/c1-2-19(3-1)26-12-9-16-4-6-20(14-17(16)10-13-26)27-22-7-5-18(15-23-22)21-8-11-24-25-21/h4-8,11,14-15,19H,1-3,9-10,12-13H2,(H,24,25)
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| InChIKey |
UNXMMFNRDHRUHR-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