General Information of the Compound
| Compound ID |
CP0431168
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| Compound Name |
7-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C17H21N5O4
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| Molecular Weight |
359.386
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| Canonical SMILES |
CC(C)=CCNc1ncnc2n(cc(C#N)c12)C1OC(CO)C(O)C1O
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| InChI |
InChI=1S/C17H21N5O4/c1-9(2)3-4-19-15-12-10(5-18)6-22(16(12)21-8-20-15)17-14(25)13(24)11(7-23)26-17/h3,6,8,11,13-14,17,23-25H,4,7H2,1-2H3,(H,19,20,21)
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| InChIKey |
TXNNQVGUHWYSSM-UHFFFAOYSA-N
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| CAS |
52443-15-9
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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
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8