General Information of the Compound
| Compound ID |
CP0440809
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| Compound Name |
N-[4-[2-(dimethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C22H18F3N5O2S
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| Molecular Weight |
473.48
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| Canonical SMILES |
CN(C)c1nc(Oc2cccc3sc(NC(C)=O)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H18F3N5O2S/c1-12(31)26-21-29-19-16(5-4-6-17(19)33-21)32-18-11-15(27-20(28-18)30(2)3)13-7-9-14(10-8-13)22(23,24)25/h4-11H,1-3H3,(H,26,29,31)
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| InChIKey |
PXHNGRMBNWDZDT-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