General Information of the Compound
| Compound ID |
CP0638239
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| Compound Name |
2-[4-Amino-5-(5-ethynyl-2-isopropyl-4-methoxy-phenoxy)-pyrimidin-2-ylamino]-ethanol
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| Structure |
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| Formula |
C18H22N4O3
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| Molecular Weight |
342.399
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| Canonical SMILES |
C#Cc1cc(Oc2cnc(NCCO)nc2N)c(C(C)C)cc1OC
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| InChI |
InChI=1S/C18H22N4O3/c1-5-12-8-15(13(11(2)3)9-14(12)24-4)25-16-10-21-18(20-6-7-23)22-17(16)19/h1,8-11,23H,6-7H2,2-4H3,(H3,19,20,21,22)
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| InChIKey |
OLSSCUJJAVUSNC-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