General Information of the Compound
| Compound ID |
CP0124123
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| Compound Name |
1-phenyl-3-(4-{6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}phenyl)urea
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| Structure |
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| Formula |
C26H25N5O4
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| Molecular Weight |
471.517
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| Canonical SMILES |
COc1cc(Nc2cncc(n2)-c2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1OC
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| InChI |
InChI=1S/C26H25N5O4/c1-33-22-13-20(14-23(34-2)25(22)35-3)28-24-16-27-15-21(31-24)17-9-11-19(12-10-17)30-26(32)29-18-7-5-4-6-8-18/h4-16H,1-3H3,(H,28,31)(H2,29,30,32)
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| InChIKey |
IGQDHCBOWJMFJV-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