General Information of the Compound
| Compound ID |
CP0569524
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| Compound Name |
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(1-methylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C23H28N6O
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| Molecular Weight |
404.518
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| Canonical SMILES |
CN1CCCC(C1)c1cc(=O)n2nc(Nc3c4CCCc4cc4CCCc34)nc2[nH]1
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| InChI |
InChI=1S/C23H28N6O/c1-28-10-4-7-16(13-28)19-12-20(30)29-23(24-19)26-22(27-29)25-21-17-8-2-5-14(17)11-15-6-3-9-18(15)21/h11-12,16H,2-10,13H2,1H3,(H2,24,25,26,27)
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| InChIKey |
DSTGGGHUZGMPSY-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