General Information of the Compound
| Compound ID |
CP0877794
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| Compound Name |
3-cyclobutyl-7-(pyrazin-2-yloxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C18H21N3O
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| Molecular Weight |
295.386
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| Canonical SMILES |
c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1
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| InChI |
InChI=1S/C18H21N3O/c1-2-16(3-1)21-10-6-14-4-5-17(12-15(14)7-11-21)22-18-13-19-8-9-20-18/h4-5,8-9,12-13,16H,1-3,6-7,10-11H2
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| InChIKey |
AJPHJCCNCSJAFJ-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