General Information of the Compound
| Compound ID |
CP0504933
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| Compound Name |
2-[7-methoxy-6-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C22H24N8O2
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| Molecular Weight |
432.488
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| Canonical SMILES |
COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN1CCCC1
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| InChI |
InChI=1S/C22H24N8O2/c1-31-18-13-17-15(12-19(18)32-11-10-29-8-4-5-9-29)21(26-14-25-17)30-22(23)27-20(28-30)16-6-2-3-7-24-16/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H2,23,27,28)
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| InChIKey |
ZPGWPGCXSHORDA-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