General Information of the Compound
| Compound ID |
CP0007465
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| Compound Name |
2-[[4-amino-5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidin-2-yl]amino]ethanol
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| Structure |
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| Formula |
C16H21IN4O3
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| Molecular Weight |
444.273
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(NCCO)nc2N)cc1I
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| InChI |
InChI=1S/C16H21IN4O3/c1-9(2)10-6-13(23-3)11(17)7-12(10)24-14-8-20-16(19-4-5-22)21-15(14)18/h6-9,22H,4-5H2,1-3H3,(H3,18,19,20,21)
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| InChIKey |
QEDZJVBTAIIIKK-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