General Information of the Compound
| Compound ID |
CP0545126
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| Compound Name |
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[(3-methylimidazol-4-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C22H23N7O
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| Molecular Weight |
401.474
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| Canonical SMILES |
Cn1cncc1Cc1cc(=O)n2nc(Nc3c4CCCc4cc4CCCc34)nc2[nH]1
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| InChI |
InChI=1S/C22H23N7O/c1-28-12-23-11-16(28)9-15-10-19(30)29-22(24-15)26-21(27-29)25-20-17-6-2-4-13(17)8-14-5-3-7-18(14)20/h8,10-12H,2-7,9H2,1H3,(H2,24,25,26,27)
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| InChIKey |
SPXYTUOPATVEKS-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