General Information of the Compound
| Compound ID |
CP0453189
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| Compound Name |
4-{6-Methoxy-7-[2-(4-methyl-piperazin-1-yl)-ethoxy]-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
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| Structure |
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| Formula |
C28H34N8O3
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| Molecular Weight |
530.633
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCN(C)CC1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
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| InChI |
InChI=1S/C28H34N8O3/c1-33-7-9-34(10-8-33)15-16-39-26-18-24-23(17-25(26)38-2)27(31-20-30-24)35-11-13-36(14-12-35)28(37)32-22-5-3-21(19-29)4-6-22/h3-6,17-18,20H,7-16H2,1-2H3,(H,32,37)
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| InChIKey |
HYJFRKGSJGMOJJ-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