General Information of the Compound
| Compound ID |
CP0575071
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| Compound Name |
1-[4-[[2-[(1-methylpyrazol-4-yl)amino]-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 |
C18H21N7O2
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| Molecular Weight |
367.413
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| Canonical SMILES |
Cn1cc(Nc2nc(OC3CCN(CC3)C(=O)C=C)c3cc[nH]c3n2)cn1
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| InChI |
InChI=1S/C18H21N7O2/c1-3-15(26)25-8-5-13(6-9-25)27-17-14-4-7-19-16(14)22-18(23-17)21-12-10-20-24(2)11-12/h3-4,7,10-11,13H,1,5-6,8-9H2,2H3,(H2,19,21,22,23)
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| InChIKey |
OIGPEQNRULEJRG-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