General Information of the Compound
| Compound ID |
CP0471228
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| Compound Name |
6-(2-methoxyethoxy)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]-3H-isoindol-1-one
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| Structure |
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| Formula |
C21H23N5O3
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| Molecular Weight |
393.447
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| Canonical SMILES |
COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C
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| InChI |
InChI=1S/C21H23N5O3/c1-14(2)26-13-22-24-20(26)18-5-4-6-19(23-18)25-12-15-7-8-16(29-10-9-28-3)11-17(15)21(25)27/h4-8,11,13-14H,9-10,12H2,1-3H3
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| InChIKey |
MHVGVCFUQVMMKF-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