General Information of the Compound
| Compound ID |
CP0182382
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| Compound Name |
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-ethyl-7-(4-ethylpiperazin-1-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C29H37N7O2
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| Molecular Weight |
515.662
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc2c(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)nc(CC)nc2c1
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| InChI |
InChI=1S/C29H37N7O2/c1-5-27-30-26-18-22(36-13-11-35(6-2)12-14-36)9-10-25(26)29(31-27)32-28-17-21(33-34-28)8-7-20-15-23(37-3)19-24(16-20)38-4/h9-10,15-19H,5-8,11-14H2,1-4H3,(H2,30,31,32,33,34)
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| InChIKey |
JZADASHLALTDDI-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