General Information of the Compound
| Compound ID |
CP0881594
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| Compound Name |
2-(5-(2,3-difluorobenzylthio)-2-(diethylamino)thiazolo[4,5-d]pyrimidin-7-ylamino)propane-1,3-diol
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| Structure |
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| Formula |
C19H23F2N5O2S2
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| Molecular Weight |
455.556
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| Canonical SMILES |
CCN(CC)c1nc2nc(SCc3cccc(F)c3F)nc(NC(CO)CO)c2s1
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| InChI |
InChI=1S/C19H23F2N5O2S2/c1-3-26(4-2)19-25-17-15(30-19)16(22-12(8-27)9-28)23-18(24-17)29-10-11-6-5-7-13(20)14(11)21/h5-7,12,27-28H,3-4,8-10H2,1-2H3,(H,22,23,24)
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| InChIKey |
NLPPWXUFBJZKEB-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