General Information of the Compound
| Compound ID |
CP0543416
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| Compound Name |
N-[3-[4-methoxy-6-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
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| Formula |
C27H28N6O2
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| Molecular Weight |
468.561
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| Canonical SMILES |
COc1ncnc2[nH]c(c(-c3cccc(NC(=O)C=C)c3)c12)-c1ccc(cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C27H28N6O2/c1-4-22(34)30-20-7-5-6-19(16-20)23-24-26(28-17-29-27(24)35-3)31-25(23)18-8-10-21(11-9-18)33-14-12-32(2)13-15-33/h4-11,16-17H,1,12-15H2,2-3H3,(H,30,34)(H,28,29,31)
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| InChIKey |
KNRGTKRISRETJF-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