General Information of the Compound
| Compound ID |
CP0006445
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| Compound Name |
2-[[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]methyl]propane-1,3-diol
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| Structure |
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| Formula |
C18H25IN4O4
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| Molecular Weight |
488.326
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(NCC(CO)CO)nc2N)cc1I
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| InChI |
InChI=1S/C18H25IN4O4/c1-10(2)12-4-15(26-3)13(19)5-14(12)27-16-7-22-18(23-17(16)20)21-6-11(8-24)9-25/h4-5,7,10-11,24-25H,6,8-9H2,1-3H3,(H3,20,21,22,23)
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| InChIKey |
FMZYBGJNDNHQHB-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