General Information of the Compound
| Compound ID |
CP0047216
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| Compound Name |
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-7-(4-ethylpiperazin-1-yl)-2-methylquinazolin-4-amine
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| Structure |
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| Formula |
C28H35N7O2
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| Molecular Weight |
501.635
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc2c(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)nc(C)nc2c1
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| InChI |
InChI=1S/C28H35N7O2/c1-5-34-10-12-35(13-11-34)22-8-9-25-26(17-22)29-19(2)30-28(25)31-27-16-21(32-33-27)7-6-20-14-23(36-3)18-24(15-20)37-4/h8-9,14-18H,5-7,10-13H2,1-4H3,(H2,29,30,31,32,33)
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| InChIKey |
SZVRXGFRYNFABI-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