General Information of the Compound
| Compound ID |
CP0501242
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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-4,4-dimethylpent-2-enamide
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| Structure |
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| Formula |
C30H34ClN7O3
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| Molecular Weight |
576.101
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C(=C\C(C)(C)C)\C#N)c2)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C30H34ClN7O3/c1-30(2,3)17-20(18-32)27(39)34-21-7-6-8-23(15-21)41-28-24(31)19-33-29(36-28)35-25-10-9-22(16-26(25)40-5)38-13-11-37(4)12-14-38/h6-10,15-17,19H,11-14H2,1-5H3,(H,34,39)(H,33,35,36)/b20-17+
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| InChIKey |
FSGZFPBFQNZABR-LVZFUZTISA-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