General Information of the Compound
| Compound ID |
CP0204359
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| Compound Name |
3-(1-(4-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl)-1H-benzo[d]imidazol-2-ylamino)phenol
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| Structure |
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| Formula |
C22H18N8O
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| Molecular Weight |
410.441
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| Canonical SMILES |
Oc1cccc(Nc2nc3ccccc3n2-c2ncnc(NCc3ccccn3)n2)c1
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| InChI |
InChI=1S/C22H18N8O/c31-17-8-5-7-15(12-17)27-22-28-18-9-1-2-10-19(18)30(22)21-26-14-25-20(29-21)24-13-16-6-3-4-11-23-16/h1-12,14,31H,13H2,(H,27,28)(H,24,25,26,29)
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| InChIKey |
LLBFTBBDYSBXLA-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