General Information of the Compound
| Compound ID |
CP0577087
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| Compound Name |
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(pyridin-2-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-thione
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| Structure |
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| Formula |
C23H22N6S
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| Molecular Weight |
414.538
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| Canonical SMILES |
S=c1cc(Cc2ccccn2)[nH]c2nc(Nc3c4CCCc4cc4CCCc34)nn12
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| InChI |
InChI=1S/C23H22N6S/c30-20-13-17(12-16-7-1-2-10-24-16)25-23-27-22(28-29(20)23)26-21-18-8-3-5-14(18)11-15-6-4-9-19(15)21/h1-2,7,10-11,13H,3-6,8-9,12H2,(H2,25,26,27,28)
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| InChIKey |
BHTLYBBOAZYXBF-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