General Information of the Compound
| Compound ID |
CP0396011
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| Compound Name |
2-[[2-(3-fluorophenyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C17H18FN5S2
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| Molecular Weight |
375.498
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| Canonical SMILES |
CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cccc(F)c1
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| InChI |
InChI=1S/C17H18FN5S2/c1-2-4-13-12(9-24-17-22-14(19)8-15(20)23-17)21-16(25-13)10-5-3-6-11(18)7-10/h3,5-8H,2,4,9H2,1H3,(H4,19,20,22,23)
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| InChIKey |
NAYQDORSLYPJGM-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