General Information of the Compound
| Compound ID |
CP0545124
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| Compound Name |
3-[[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C25H22N6O
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| Molecular Weight |
422.492
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| Canonical SMILES |
O=c1cc(Cc2cccc(c2)C#N)[nH]c2nc(Nc3c4CCCc4cc4CCCc34)nn12
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| InChI |
InChI=1S/C25H22N6O/c26-14-16-5-1-4-15(10-16)11-19-13-22(32)31-25(27-19)29-24(30-31)28-23-20-8-2-6-17(20)12-18-7-3-9-21(18)23/h1,4-5,10,12-13H,2-3,6-9,11H2,(H2,27,28,29,30)
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| InChIKey |
VHEXQNSTCQVXBK-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