General Information of the Compound
| Compound ID |
CP0961526
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| Compound Name |
N-(5-(3,5-Dimethoxyphenethyl)-1H-pyrazol-3-yl)-5-methoxyquinazolin-4-amine
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| Structure |
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| Formula |
C22H23N5O3
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| Molecular Weight |
405.458
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| Canonical SMILES |
COc1cc(CCc2cc(Nc3ncnc4cccc(OC)c34)n[nH]2)cc(OC)c1
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| InChI |
InChI=1S/C22H23N5O3/c1-28-16-9-14(10-17(12-16)29-2)7-8-15-11-20(27-26-15)25-22-21-18(23-13-24-22)5-4-6-19(21)30-3/h4-6,9-13H,7-8H2,1-3H3,(H2,23,24,25,26,27)
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| InChIKey |
ZWNUWXBTLAQUPP-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