General Information of the Compound
| Compound ID |
CP0533532
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| Compound Name |
3-[2-[4-(6-aminopyrrolo[2,3-b]pyridin-1-yl)pyridin-2-yl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C19H17N5O2
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| Molecular Weight |
347.378
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| Canonical SMILES |
CN1CCC(O)(C#Cc2cc(ccn2)-n2ccc3ccc(N)nc23)C1=O
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| InChI |
InChI=1S/C19H17N5O2/c1-23-11-8-19(26,18(23)25)7-4-14-12-15(5-9-21-14)24-10-6-13-2-3-16(20)22-17(13)24/h2-3,5-6,9-10,12,26H,8,11H2,1H3,(H2,20,22)
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| InChIKey |
DJULBGDCFMRUPH-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