General Information of the Compound
| Compound ID |
CP0115156
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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-cyclopropylprop-2-enamide
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| Structure |
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| Formula |
C29H30ClN7O3
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| Molecular Weight |
560.058
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C3CC3)\C#N)c2)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C29H30ClN7O3/c1-36-10-12-37(13-11-36)22-8-9-25(26(16-22)39-2)34-29-32-18-24(30)28(35-29)40-23-5-3-4-21(15-23)33-27(38)20(17-31)14-19-6-7-19/h3-5,8-9,14-16,18-19H,6-7,10-13H2,1-2H3,(H,33,38)(H,32,34,35)/b20-14+
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| InChIKey |
URGNZKFHZDNLHH-XSFVSMFZSA-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