General Information of the Compound
| Compound ID |
CP0572184
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| Compound Name |
2-[6-[4-(4-hydroxybutan-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 |
C19H19N5O2
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| Molecular Weight |
349.394
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| Canonical SMILES |
CC(CCO)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
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| InChI |
InChI=1S/C19H19N5O2/c1-13(9-10-25)24-12-20-22-18(24)16-7-4-8-17(21-16)23-11-14-5-2-3-6-15(14)19(23)26/h2-8,12-13,25H,9-11H2,1H3
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| InChIKey |
PZJKDONUMPDHJJ-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