General Information of the Compound
| Compound ID |
CP0533534
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| Compound Name |
3-[2-[3-(2-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-fluorophenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C19H16FN5O2
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| Molecular Weight |
365.368
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| Canonical SMILES |
CN1CCC(O)(C#Cc2ccc(F)c(c2)-c2c[nH]c3cnc(N)nc23)C1=O
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| InChI |
InChI=1S/C19H16FN5O2/c1-25-7-6-19(27,17(25)26)5-4-11-2-3-14(20)12(8-11)13-9-22-15-10-23-18(21)24-16(13)15/h2-3,8-10,22,27H,6-7H2,1H3,(H2,21,23,24)
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| InChIKey |
ATFWGQFFMCUIIP-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