General Information of the Compound
| Compound ID |
CP0488435
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| Compound Name |
1-[4-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-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 |
C27H33N7O4
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| Molecular Weight |
519.606
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| Canonical SMILES |
COc1cc(ccc1Nc1nc(OC2CCN(CC2)C(=O)C=C)c2cc[nH]c2n1)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C27H33N7O4/c1-4-24(36)34-11-8-20(9-12-34)38-26-21-7-10-28-25(21)30-27(31-26)29-22-6-5-19(17-23(22)37-3)33-15-13-32(14-16-33)18(2)35/h4-7,10,17,20H,1,8-9,11-16H2,2-3H3,(H2,28,29,30,31)
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| InChIKey |
DIXONEWFVDHKPC-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