General Information of the Compound
| Compound ID |
CP0569060
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| Compound Name |
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]-4-(methylamino)-2-[4-methyl-3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C32H31N7O5
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| Molecular Weight |
593.644
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| Canonical SMILES |
CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
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| InChI |
InChI=1S/C32H31N7O5/c1-5-28(40)37-24-16-22(10-7-18(24)2)36-32-34-17-23(29(33-4)39-32)31(42)38-25-15-21(9-6-19(25)3)35-30(41)20-8-11-26-27(14-20)44-13-12-43-26/h5-11,14-17H,1,12-13H2,2-4H3,(H,35,41)(H,37,40)(H,38,42)(H2,33,34,36,39)
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| InChIKey |
QDXRJXIJDJROFX-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