General Information of the Compound
| Compound ID |
CP0408967
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| Compound Name |
4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N,N-diethyl-6,7-dimethoxyquinazolin-2-amine
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| Structure |
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| Formula |
C21H24N8O2
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| Molecular Weight |
420.477
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| Canonical SMILES |
CCN(CC)c1nc(-n2nc(nc2N)-c2ccccn2)c2cc(OC)c(OC)cc2n1
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| InChI |
InChI=1S/C21H24N8O2/c1-5-28(6-2)21-24-15-12-17(31-4)16(30-3)11-13(15)19(26-21)29-20(22)25-18(27-29)14-9-7-8-10-23-14/h7-12H,5-6H2,1-4H3,(H2,22,25,27)
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| InChIKey |
LLSUWBWLVPISFG-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