General Information of the Compound
| Compound ID |
CP0569521
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| Compound Name |
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
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| Structure |
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| Formula |
C19H18N6O
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| Molecular Weight |
346.394
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| Canonical SMILES |
Cc1[nH]c2nc(Nc3c4CCCc4cc4CCCc34)nn2c(=O)c1C#N
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| InChI |
InChI=1S/C19H18N6O/c1-10-15(9-20)17(26)25-19(21-10)23-18(24-25)22-16-13-6-2-4-11(13)8-12-5-3-7-14(12)16/h8H,2-7H2,1H3,(H2,21,22,23,24)
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| InChIKey |
MNHUEAGFBIBEKB-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