General Information of the Compound
| Compound ID |
CP0548750
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| Compound Name |
4-[3-(2-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)phenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol
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| Structure |
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| Formula |
C19H15N5OS
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| Molecular Weight |
361.43
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| Canonical SMILES |
CC(O)(C#Cc1cccc(c1)-c1c[nH]c2cnc(N)nc12)c1nccs1
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| InChI |
InChI=1S/C19H15N5OS/c1-19(25,17-21-7-8-26-17)6-5-12-3-2-4-13(9-12)14-10-22-15-11-23-18(20)24-16(14)15/h2-4,7-11,22,25H,1H3,(H2,20,23,24)
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| InChIKey |
PVWZLJDPRMFODR-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