General Information of the Compound
| Compound ID |
CP0414600
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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-(1H-imidazol-5-yl)prop-2-enamide
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| Structure |
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| Formula |
C29H28ClN9O3
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| Molecular Weight |
586.056
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\c3cnc[nH]3)\C#N)c2)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C29H28ClN9O3/c1-38-8-10-39(11-9-38)22-6-7-25(26(14-22)41-2)36-29-33-17-24(30)28(37-29)42-23-5-3-4-20(13-23)35-27(40)19(15-31)12-21-16-32-18-34-21/h3-7,12-14,16-18H,8-11H2,1-2H3,(H,32,34)(H,35,40)(H,33,36,37)/b19-12+
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| InChIKey |
HCSYAZVUCYAXNG-XDHOZWIPSA-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