General Information of the Compound
| Compound ID |
CP0577084
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| Compound Name |
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(pyridin-3-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C23H22N6O
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| Molecular Weight |
398.47
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| Canonical SMILES |
O=c1cc(Cc2cccnc2)[nH]c2nc(Nc3c4CCCc4cc4CCCc34)nn12
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| InChI |
InChI=1S/C23H22N6O/c30-20-12-17(10-14-4-3-9-24-13-14)25-23-27-22(28-29(20)23)26-21-18-7-1-5-15(18)11-16-6-2-8-19(16)21/h3-4,9,11-13H,1-2,5-8,10H2,(H2,25,26,27,28)
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| InChIKey |
VLFRTWWGYQXQSA-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