General Information of the Compound
| Compound ID |
CP0481280
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| Compound Name |
N-[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]-2-aminoacetamide
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| Structure |
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| Formula |
C22H17F3N6O3S
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| Molecular Weight |
502.478
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| Canonical SMILES |
CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)CN)C(F)(F)F)cccc2s1
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| InChI |
InChI=1S/C22H17F3N6O3S/c1-11(32)29-21-31-20-16(3-2-4-17(20)35-21)34-19-8-14(27-10-28-19)13-6-5-12(22(23,24)25)7-15(13)30-18(33)9-26/h2-8,10H,9,26H2,1H3,(H,30,33)(H,29,31,32)
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| InChIKey |
DSDNXEJLHIPCBF-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