General Information of the Compound
| Compound ID |
CP0544267
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| Compound Name |
1-[4-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C25H31N7O2
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| Molecular Weight |
461.57
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(OC3CCN(CC3)C(=O)C=C)c3cc[nH]c3n2)cc1
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| InChI |
InChI=1S/C25H31N7O2/c1-3-22(33)32-12-9-20(10-13-32)34-24-21-8-11-26-23(21)28-25(29-24)27-18-4-6-19(7-5-18)31-16-14-30(2)15-17-31/h3-8,11,20H,1,9-10,12-17H2,2H3,(H2,26,27,28,29)
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| InChIKey |
DIMOQBNFIGMIPG-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