General Information of the Compound
| Compound ID |
CP0515551
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| Compound Name |
(4-{6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}phenyl)methanol
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| Structure |
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| Formula |
C20H21N3O4
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| Molecular Weight |
367.405
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| Canonical SMILES |
COc1cc(Nc2cncc(n2)-c2ccc(CO)cc2)cc(OC)c1OC
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| InChI |
InChI=1S/C20H21N3O4/c1-25-17-8-15(9-18(26-2)20(17)27-3)22-19-11-21-10-16(23-19)14-6-4-13(12-24)5-7-14/h4-11,24H,12H2,1-3H3,(H,22,23)
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| InChIKey |
YULVNJAHDFXZIB-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