General Information of the Compound
| Compound ID |
CP0435600
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| Compound Name |
1-(4-(4-(6-methoxyquinazolin-4-ylamino)-2-methylphenoxy)piperidin-1-yl)-3,3-dimethylbutan-1-one
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| Structure |
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| Formula |
C27H34N4O3
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| Molecular Weight |
462.594
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| Canonical SMILES |
COc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)CC(C)(C)C)c(C)c3)c2c1
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| InChI |
InChI=1S/C27H34N4O3/c1-18-14-19(30-26-22-15-21(33-5)7-8-23(22)28-17-29-26)6-9-24(18)34-20-10-12-31(13-11-20)25(32)16-27(2,3)4/h6-9,14-15,17,20H,10-13,16H2,1-5H3,(H,28,29,30)
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| InChIKey |
VHVSXASVBMWAMX-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