General Information of the Compound
| Compound ID |
CP0877795
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| Compound Name |
3-cyclobutyl-7-(pyrimidin-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)nc1
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| InChI |
InChI=1S/C18H21N3O/c1-3-16(4-1)21-11-7-14-5-6-17(13-15(14)8-12-21)22-18-19-9-2-10-20-18/h2,5-6,9-10,13,16H,1,3-4,7-8,11-12H2
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| InChIKey |
VLMHLPVAVZOVRR-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