General Information of the Compound
| Compound ID |
CP0639314
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| Compound Name |
2-[4-Amino-5-(4-chloro-5-iodo-2-isopropyl-phenoxy)-pyrimidin-2-ylamino]-propane-1,3-diol
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| Structure |
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| Formula |
C16H20ClIN4O3
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| Molecular Weight |
478.718
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| Canonical SMILES |
CC(C)c1cc(Cl)c(I)cc1Oc1cnc(NC(CO)CO)nc1N
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| InChI |
InChI=1S/C16H20ClIN4O3/c1-8(2)10-3-11(17)12(18)4-13(10)25-14-5-20-16(22-15(14)19)21-9(6-23)7-24/h3-5,8-9,23-24H,6-7H2,1-2H3,(H3,19,20,21,22)
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| InChIKey |
SLFZPPMDQIQXGW-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