General Information of the Compound
| Compound ID |
CP0946915
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| Compound Name |
(1-(5-(2,3-difluorobenzylthio)-2-aminothiazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-yl)methanol
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| Structure |
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| Formula |
C17H17F2N5OS2
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| Molecular Weight |
409.487
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| Canonical SMILES |
Nc1nc2nc(SCc3cccc(F)c3F)nc(N3CCCC3CO)c2s1
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| InChI |
InChI=1S/C17H17F2N5OS2/c18-11-5-1-3-9(12(11)19)8-26-17-22-14-13(27-16(20)21-14)15(23-17)24-6-2-4-10(24)7-25/h1,3,5,10,25H,2,4,6-8H2,(H2,20,21,22,23)
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| InChIKey |
MCLIYLANXPCEGX-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