General Information of the Compound
| Compound ID |
CP0403069
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| Compound Name |
N-[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]-3-(dimethylamino)propanamide
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| Structure |
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| Formula |
C25H23F3N6O3S
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| Molecular Weight |
544.559
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| Canonical SMILES |
CN(C)CCC(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
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| InChI |
InChI=1S/C25H23F3N6O3S/c1-14(35)31-24-33-23-19(5-4-6-20(23)38-24)37-22-12-17(29-13-30-22)16-8-7-15(25(26,27)28)11-18(16)32-21(36)9-10-34(2)3/h4-8,11-13H,9-10H2,1-3H3,(H,32,36)(H,31,33,35)
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| InChIKey |
MNIRXWZHOBNBKW-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