General Information of the Compound
| Compound ID |
CP0417988
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| Compound Name |
3-(5-(4-cyclopropyl-1,4-diazepane-1-carbonyl)pyridin-2-yloxy)benzonitrile
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| Structure |
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| Formula |
C21H22N4O2
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| Molecular Weight |
362.433
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| Canonical SMILES |
O=C(N1CCCN(CC1)C1CC1)c1ccc(Oc2cccc(c2)C#N)nc1
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| InChI |
InChI=1S/C21H22N4O2/c22-14-16-3-1-4-19(13-16)27-20-8-5-17(15-23-20)21(26)25-10-2-9-24(11-12-25)18-6-7-18/h1,3-5,8,13,15,18H,2,6-7,9-12H2
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| InChIKey |
IZZYEWRCWWNUKY-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