General Information of the Compound
| Compound ID |
CP0481278
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| Compound Name |
N-[4-[6-[2-[2-(dimethylamino)ethylamino]-6-(trifluoromethyl)pyridin-3-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C23H22F3N7O2S
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| Molecular Weight |
517.537
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| Canonical SMILES |
CN(C)CCNc1nc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N7O2S/c1-13(34)30-22-32-20-16(5-4-6-17(20)36-22)35-19-11-15(28-12-29-19)14-7-8-18(23(24,25)26)31-21(14)27-9-10-33(2)3/h4-8,11-12H,9-10H2,1-3H3,(H,27,31)(H,30,32,34)
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| InChIKey |
HFWRMSCKUYGCLW-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