General Information of the Compound
| Compound ID |
CP0567941
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| Compound Name |
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-(pyrimidin-2-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C22H21N7O
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| Molecular Weight |
399.458
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| Canonical SMILES |
O=c1cc(Cc2ncccn2)[nH]c2nc(Nc3c4CCCc4cc4CCCc34)nn12
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| InChI |
InChI=1S/C22H21N7O/c30-19-12-15(11-18-23-8-3-9-24-18)25-22-27-21(28-29(19)22)26-20-16-6-1-4-13(16)10-14-5-2-7-17(14)20/h3,8-10,12H,1-2,4-7,11H2,(H2,25,26,27,28)
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| InChIKey |
FCLMDCIKHLRHHE-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