General Information of the Compound
| Compound ID |
CP0947423
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| Compound Name |
(R)-2-(5-(2,3-difluorobenzylthio)-2-(diethylamino)thiazolo[4,5-d]pyrimidin-7-ylamino)propan-1-ol
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| Structure |
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| Formula |
C19H23F2N5OS2
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| Molecular Weight |
439.557
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| Canonical SMILES |
CCN(CC)c1nc2nc(SCc3cccc(F)c3F)nc(N[C@H](C)CO)c2s1
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| InChI |
InChI=1S/C19H23F2N5OS2/c1-4-26(5-2)19-25-17-15(29-19)16(22-11(3)9-27)23-18(24-17)28-10-12-7-6-8-13(20)14(12)21/h6-8,11,27H,4-5,9-10H2,1-3H3,(H,22,23,24)/t11-/m1/s1
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| InChIKey |
LHFIGZSTHRIIFI-LLVKDONJSA-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