General Information of the Compound
| Compound ID |
CP0561775
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| Compound Name |
N-[3-[[2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]carbamoylamino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H34N8O3
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| Molecular Weight |
530.633
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| Canonical SMILES |
COc1cc(ccc1Nc1nccc(NC(=O)Nc2cccc(NC(=O)C=C)c2)n1)N1CCC(CC1)N(C)C
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| InChI |
InChI=1S/C28H34N8O3/c1-5-26(37)30-19-7-6-8-20(17-19)31-28(38)34-25-11-14-29-27(33-25)32-23-10-9-22(18-24(23)39-4)36-15-12-21(13-16-36)35(2)3/h5-11,14,17-18,21H,1,12-13,15-16H2,2-4H3,(H,30,37)(H3,29,31,32,33,34,38)
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| InChIKey |
JCCQBCUPVBAGMJ-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