General Information of the Compound
| Compound ID |
CP0459476
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| Compound Name |
3-[2-[4-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-yl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C18H16N6O2
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| Molecular Weight |
348.366
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| Canonical SMILES |
CN1CCC(O)(C#Cc2cc(ccn2)-n2ccc3cnc(N)nc23)C1=O
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| InChI |
InChI=1S/C18H16N6O2/c1-23-9-6-18(26,16(23)25)5-2-13-10-14(3-7-20-13)24-8-4-12-11-21-17(19)22-15(12)24/h3-4,7-8,10-11,26H,6,9H2,1H3,(H2,19,21,22)
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| InChIKey |
CQIBDGUSHRFPBC-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