General Information of the Compound
| Compound ID |
CP0874333
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| Compound Name |
3-cyclobutyl-7-(pyridin-2-yloxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C19H22N2O
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| Molecular Weight |
294.398
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| Canonical SMILES |
c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1
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| InChI |
InChI=1S/C19H22N2O/c1-2-11-20-19(6-1)22-18-8-7-15-9-12-21(17-4-3-5-17)13-10-16(15)14-18/h1-2,6-8,11,14,17H,3-5,9-10,12-13H2
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| InChIKey |
RXJJBIFHNJJGBV-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