General Information of the Compound
| Compound ID |
CP0240812
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| Compound Name |
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 |
C18H17N5O
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| Molecular Weight |
319.368
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| Canonical SMILES |
CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
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| InChI |
InChI=1S/C18H17N5O/c1-12(2)23-11-19-21-17(23)15-8-5-9-16(20-15)22-10-13-6-3-4-7-14(13)18(22)24/h3-9,11-12H,10H2,1-2H3
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| InChIKey |
NDBJFFCSTXBTFV-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