General Information of the Compound
| Compound ID |
CP0472095
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| Compound Name |
3-[2-[4-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-yl]ethynyl]-3-hydroxy-1-methylpiperidin-2-one
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| Structure |
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| Formula |
C19H18N6O2
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| Molecular Weight |
362.393
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| Canonical SMILES |
CN1CCCC(O)(C#Cc2cc(ccn2)-n2ccc3cnc(N)nc23)C1=O
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| InChI |
InChI=1S/C19H18N6O2/c1-24-9-2-6-19(27,17(24)26)7-3-14-11-15(4-8-21-14)25-10-5-13-12-22-18(20)23-16(13)25/h4-5,8,10-12,27H,2,6,9H2,1H3,(H2,20,22,23)
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| InChIKey |
VPBFJWUBUXRAAQ-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