General Information of the Compound
| Compound ID |
CP0435599
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| Compound Name |
3,3-dimethyl-1-(4-(2-methyl-4-(6-morpholinopyrido[3,4-d]pyrimidin-4-ylamino)phenoxy)piperidin-1-yl)butan-1-one
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| Structure |
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| Formula |
C29H38N6O3
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| Molecular Weight |
518.662
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| Canonical SMILES |
Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1OC1CCN(CC1)C(=O)CC(C)(C)C
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| InChI |
InChI=1S/C29H38N6O3/c1-20-15-21(5-6-25(20)38-22-7-9-35(10-8-22)27(36)17-29(2,3)4)33-28-23-16-26(34-11-13-37-14-12-34)30-18-24(23)31-19-32-28/h5-6,15-16,18-19,22H,7-14,17H2,1-4H3,(H,31,32,33)
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| InChIKey |
CXWGFZRBLKUTRZ-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