General Information of the Compound
| Compound ID |
CP0522686
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| Compound Name |
3-(5-(4-isopropylpiperazine-1-carbonyl)pyridin-2-yloxy)benzonitrile
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| Structure |
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| Formula |
C20H22N4O2
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| Molecular Weight |
350.422
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)c1ccc(Oc2cccc(c2)C#N)nc1
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| InChI |
InChI=1S/C20H22N4O2/c1-15(2)23-8-10-24(11-9-23)20(25)17-6-7-19(22-14-17)26-18-5-3-4-16(12-18)13-21/h3-7,12,14-15H,8-11H2,1-2H3
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| InChIKey |
ZRSFIHHNRGUDJN-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