General Information of the Compound
| Compound ID |
CP0910625
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| Compound Name |
(R)-2-(5-(3-fluorobenzylthio)-2-aminothiazolo[4,5-d]pyrimidin-7-ylamino)propan-1-ol
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| Structure |
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| Formula |
C15H16FN5OS2
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| Molecular Weight |
365.459
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| Canonical SMILES |
C[C@H](CO)Nc1nc(SCc2cccc(F)c2)nc2nc(N)sc12
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| InChI |
InChI=1S/C15H16FN5OS2/c1-8(6-22)18-12-11-13(19-14(17)24-11)21-15(20-12)23-7-9-3-2-4-10(16)5-9/h2-5,8,22H,6-7H2,1H3,(H3,17,18,19,20,21)/t8-/m1/s1
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| InChIKey |
CMRKRKKBFXYTCR-MRVPVSSYSA-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