General Information of the Compound
| Compound ID |
CP0500423
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| Compound Name |
4-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-amine
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| Structure |
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| Formula |
C18H11F3N4OS
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| Molecular Weight |
388.374
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| Canonical SMILES |
Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C18H11F3N4OS/c19-18(20,21)11-6-4-10(5-7-11)12-8-15(24-9-23-12)26-13-2-1-3-14-16(13)25-17(22)27-14/h1-9H,(H2,22,25)
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| InChIKey |
IUSOBMHCOYGJSN-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