General Information of the Compound
| Compound ID |
CP0635820
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| Compound Name |
2-[4-Amino-5-(5-iodo-2-isopropyl-4-methoxy-phenoxy)-pyrimidin-2-ylamino]-2-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(NC(C)(CO)CO)nc2N)cc1I
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| InChI |
InChI=1S/C18H25IN4O4/c1-10(2)11-5-14(26-4)12(19)6-13(11)27-15-7-21-17(22-16(15)20)23-18(3,8-24)9-25/h5-7,10,24-25H,8-9H2,1-4H3,(H3,20,21,22,23)
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| InChIKey |
JVDBFDLYRVYCCM-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