General Information of the Compound
| Compound ID |
CP0002264
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| Compound Name |
5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H28IN5O3
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| Molecular Weight |
513.38
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(NCCN3CCOCC3)nc2N)cc1I
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| InChI |
InChI=1S/C20H28IN5O3/c1-13(2)14-10-17(27-3)15(21)11-16(14)29-18-12-24-20(25-19(18)22)23-4-5-26-6-8-28-9-7-26/h10-13H,4-9H2,1-3H3,(H3,22,23,24,25)
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| InChIKey |
IQEIDXMZRHBDKY-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