General Information of the Compound
| Compound ID |
CP0447647
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| Compound Name |
N-[5-(1,3-benzodioxole-5-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 |
C31H29N7O5
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| Molecular Weight |
579.617
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| Canonical SMILES |
CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2ccc3OCOc3c2)ccc1C
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| InChI |
InChI=1S/C31H29N7O5/c1-5-27(39)36-23-14-21(10-7-17(23)2)35-31-33-15-22(28(32-4)38-31)30(41)37-24-13-20(9-6-18(24)3)34-29(40)19-8-11-25-26(12-19)43-16-42-25/h5-15H,1,16H2,2-4H3,(H,34,40)(H,36,39)(H,37,41)(H2,32,33,35,38)
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| InChIKey |
AFFAEAYTDPVNHJ-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