General Information of the Compound
| Compound ID |
CP0238827
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| Compound Name |
3-(1-(4-amino-1,3,5-triazin-2-yl)-1H-benzo[d]imidazol-2-ylamino)phenol
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| Structure |
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| Formula |
C16H13N7O
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| Molecular Weight |
319.328
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| Canonical SMILES |
Nc1ncnc(n1)-n1c(Nc2cccc(O)c2)nc2ccccc12
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| InChI |
InChI=1S/C16H13N7O/c17-14-18-9-19-15(22-14)23-13-7-2-1-6-12(13)21-16(23)20-10-4-3-5-11(24)8-10/h1-9,24H,(H,20,21)(H2,17,18,19,22)
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| InChIKey |
JVMUZOHLNVZUFA-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