General Information of the Compound
| Compound ID |
CP0047213
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| Compound Name |
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-morpholin-4-ylquinazolin-4-amine
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| Structure |
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| Formula |
C25H28N6O3
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| Molecular Weight |
460.538
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| Canonical SMILES |
COc1cc(CCc2cc(Nc3ncnc4cc(ccc34)N3CCOCC3)n[nH]2)cc(OC)c1
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| InChI |
InChI=1S/C25H28N6O3/c1-32-20-11-17(12-21(15-20)33-2)3-4-18-13-24(30-29-18)28-25-22-6-5-19(14-23(22)26-16-27-25)31-7-9-34-10-8-31/h5-6,11-16H,3-4,7-10H2,1-2H3,(H2,26,27,28,29,30)
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| InChIKey |
XWPFWXQISUCYHZ-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