General Information of the Compound
| Compound ID |
CP0524138
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| Compound Name |
6-[[2-[4-ethoxy-3-(2-fluoroethoxy)phenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C17H19FN6O2S2
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| Molecular Weight |
422.511
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| Canonical SMILES |
CCOc1ccc(cc1OCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
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| InChI |
InChI=1S/C17H19FN6O2S2/c1-2-25-12-4-3-10(7-13(12)26-6-5-18)14-21-11(8-27-14)9-28-17-23-15(19)22-16(20)24-17/h3-4,7-8H,2,5-6,9H2,1H3,(H4,19,20,22,23,24)
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| InChIKey |
BBKFVYOTSUWKHN-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