General Information of the Compound
| Compound ID |
CP0636886
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| Compound Name |
3-[4-Amino-5-(5-ethynyl-2-isopropyl-4-methoxy-phenoxy)-pyrimidin-2-ylamino]-propan-1-ol
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| Structure |
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| Formula |
C19H24N4O3
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| Molecular Weight |
356.426
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| Canonical SMILES |
C#Cc1cc(Oc2cnc(NCCCO)nc2N)c(C(C)C)cc1OC
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| InChI |
InChI=1S/C19H24N4O3/c1-5-13-9-16(14(12(2)3)10-15(13)25-4)26-17-11-22-19(23-18(17)20)21-7-6-8-24/h1,9-12,24H,6-8H2,2-4H3,(H3,20,21,22,23)
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| InChIKey |
OMDBVCZSXWMPDH-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