General Information of the Compound
| Compound ID |
CP0639315
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| Compound Name |
5-[4-Amino-2-(2-hydroxy-1-hydroxymethyl-ethylamino)-pyrimidin-5-yloxy]-4-isopropyl-2-methoxy-benzenesulfonamide
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| Structure |
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| Formula |
C17H25N5O6S
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| Molecular Weight |
427.483
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(NC(CO)CO)nc2N)cc1S(N)(=O)=O
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| InChI |
InChI=1S/C17H25N5O6S/c1-9(2)11-4-13(27-3)15(29(19,25)26)5-12(11)28-14-6-20-17(22-16(14)18)21-10(7-23)8-24/h4-6,9-10,23-24H,7-8H2,1-3H3,(H2,19,25,26)(H3,18,20,21,22)
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| InChIKey |
BXYCNACOQSAWFQ-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