General Information of the Compound
| Compound ID |
CP0520799
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| Compound Name |
N-[3-[[2-[4-[4-(diethylamino)piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]carbamoylamino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C30H38N8O3
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| Molecular Weight |
558.687
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| Canonical SMILES |
CCN(CC)C1CCN(CC1)c1ccc(Nc2nccc(NC(=O)Nc3cccc(NC(=O)C=C)c3)n2)c(OC)c1
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| InChI |
InChI=1S/C30H38N8O3/c1-5-28(39)32-21-9-8-10-22(19-21)33-30(40)36-27-13-16-31-29(35-27)34-25-12-11-24(20-26(25)41-4)38-17-14-23(15-18-38)37(6-2)7-3/h5,8-13,16,19-20,23H,1,6-7,14-15,17-18H2,2-4H3,(H,32,39)(H3,31,33,34,35,36,40)
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| InChIKey |
MMIVMSNIAOAVSX-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