General Information of the Compound
| Compound ID |
CP0392032
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| Compound Name |
2-[[2-[3-(3-fluoropropoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C18H20FN5O2S2
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| Molecular Weight |
421.523
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| Canonical SMILES |
COc1ccc(cc1OCCCF)-c1nc(CSc2nc(N)cc(N)n2)cs1
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| InChI |
InChI=1S/C18H20FN5O2S2/c1-25-13-4-3-11(7-14(13)26-6-2-5-19)17-22-12(9-27-17)10-28-18-23-15(20)8-16(21)24-18/h3-4,7-9H,2,5-6,10H2,1H3,(H4,20,21,23,24)
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| InChIKey |
NSUSCUNUJRIUCF-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
Protein ID: PT01831, Deoxycytidine kinase
Protein ID: PT06167, Deoxycytidine kinase