General Information of the Compound
| Compound ID |
CP0462436
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| Compound Name |
4-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-N-(2-morpholin-4-ylethyl)quinazoline-4,7-diamine
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| Structure |
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| Formula |
C27H33N7O3
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| Molecular Weight |
503.607
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| Canonical SMILES |
COc1cc(CCc2cc(Nc3ncnc4cc(NCCN5CCOCC5)ccc34)n[nH]2)cc(OC)c1
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| InChI |
InChI=1S/C27H33N7O3/c1-35-22-13-19(14-23(17-22)36-2)3-4-21-16-26(33-32-21)31-27-24-6-5-20(15-25(24)29-18-30-27)28-7-8-34-9-11-37-12-10-34/h5-6,13-18,28H,3-4,7-12H2,1-2H3,(H2,29,30,31,32,33)
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| InChIKey |
RRUKQYUSSNTAOJ-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