General Information of the Compound
| Compound ID |
CP0514507
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| Compound Name |
(4-cyclobutyl-1,4-diazepan-1-yl)(5-phenoxypyridin-3-yl)methanone
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| Structure |
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| Formula |
C21H25N3O2
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| Molecular Weight |
351.45
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| Canonical SMILES |
O=C(N1CCCN(CC1)C1CCC1)c1cncc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C21H25N3O2/c25-21(24-11-5-10-23(12-13-24)18-6-4-7-18)17-14-20(16-22-15-17)26-19-8-2-1-3-9-19/h1-3,8-9,14-16,18H,4-7,10-13H2
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| InChIKey |
HUILBBZJFPPXMQ-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