General Information of the Compound
| Compound ID |
CP0410836
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| Compound Name |
(E)-N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]-2-cyano-3-(furan-2-yl)prop-2-enamide
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| Structure |
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| Formula |
C30H28ClN7O4
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| Molecular Weight |
586.052
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3ccco3)\C#N)c2)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C30H28ClN7O4/c1-37-10-12-38(13-11-37)22-8-9-26(27(17-22)40-2)35-30-33-19-25(31)29(36-30)42-24-6-3-5-21(16-24)34-28(39)20(18-32)15-23-7-4-14-41-23/h3-9,14-17,19H,10-13H2,1-2H3,(H,34,39)(H,33,35,36)/b20-15+
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| InChIKey |
YBTSHGYBHACPMA-HMMYKYKNSA-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