General Information of the Compound
| Compound ID |
CP0368810
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| Compound Name |
N-[3-[3-chloro-6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyridin-2-yl]oxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H28ClN5O3
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| Molecular Weight |
493.995
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| Canonical SMILES |
COc1cc(ccc1Nc1ccc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C26H28ClN5O3/c1-4-25(33)28-18-6-5-7-20(16-18)35-26-21(27)9-11-24(30-26)29-22-10-8-19(17-23(22)34-3)32-14-12-31(2)13-15-32/h4-11,16-17H,1,12-15H2,2-3H3,(H,28,33)(H,29,30)
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| InChIKey |
VMMYPYDOTNDREB-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