General Information of the Compound
| Compound ID |
CP0384975
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| Compound Name |
1-(4-(4-(6-(2-methoxyethoxy)quinazolin-4-ylamino)-2-methylphenoxy)piperidin-1-yl)-3,3-dimethylbutan-1-one
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| Structure |
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| Formula |
C29H38N4O4
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| Molecular Weight |
506.647
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| Canonical SMILES |
COCCOc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)CC(C)(C)C)c(C)c3)c2c1
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| InChI |
InChI=1S/C29H38N4O4/c1-20-16-21(32-28-24-17-23(36-15-14-35-5)7-8-25(24)30-19-31-28)6-9-26(20)37-22-10-12-33(13-11-22)27(34)18-29(2,3)4/h6-9,16-17,19,22H,10-15,18H2,1-5H3,(H,30,31,32)
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| InChIKey |
ISJKKYVTSUZZMA-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