General Information of the Compound
Compound ID |
CP0050327
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Compound Name |
3-(1-(4-(phenylamino)-1,3,5-triazin-2-yl)-1H-benzo[d]imidazol-2-ylamino)phenol
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Structure |
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Formula |
C22H17N7O
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Molecular Weight |
395.426
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Canonical SMILES |
Oc1cccc(Nc2nc3ccccc3n2-c2ncnc(Nc3ccccc3)n2)c1
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InChI |
InChI=1S/C22H17N7O/c30-17-10-6-9-16(13-17)26-22-27-18-11-4-5-12-19(18)29(22)21-24-14-23-20(28-21)25-15-7-2-1-3-8-15/h1-14,30H,(H,26,27)(H,23,24,25,28)
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InChIKey |
OXWDPINHMMOYAP-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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