General Information of the Compound
| Compound ID |
CP0314464
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| Compound Name |
3-(1-(4-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl)-1H-benzo[d]imidazol-2-ylamino)phenol
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| Structure |
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| Formula |
C18H14F3N7O
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| Molecular Weight |
401.352
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| Canonical SMILES |
Oc1cccc(Nc2nc3ccccc3n2-c2ncnc(NCC(F)(F)F)n2)c1
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| InChI |
InChI=1S/C18H14F3N7O/c19-18(20,21)9-22-15-23-10-24-16(27-15)28-14-7-2-1-6-13(14)26-17(28)25-11-4-3-5-12(29)8-11/h1-8,10,29H,9H2,(H,25,26)(H,22,23,24,27)
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| InChIKey |
KTMLZKYZENCGLO-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