General Information of the Compound
| Compound ID |
CP0910626
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| Compound Name |
(2R)-2-[[5-[(2,3-difluorophenyl)methylsulfanyl]-2-(propan-2-ylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]butan-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 |
CC[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NC(C)C)sc12
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| InChI |
InChI=1S/C19H23F2N5OS2/c1-4-12(8-27)23-16-15-17(26-19(29-15)22-10(2)3)25-18(24-16)28-9-11-6-5-7-13(20)14(11)21/h5-7,10,12,27H,4,8-9H2,1-3H3,(H2,22,23,24,25,26)/t12-/m1/s1
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| InChIKey |
LDWGDDQOIJFESM-GFCCVEGCSA-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