General Information of the Compound
| Compound ID |
CP0427672
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| Compound Name |
N-[2-[6-[(2-acetamido-1,3-benzothiazol-4-yl)oxy]pyrimidin-4-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)butanamide
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| Structure |
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| Formula |
C26H25F3N6O3S
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| Molecular Weight |
558.586
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| Canonical SMILES |
CN(C)CCCC(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
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| InChI |
InChI=1S/C26H25F3N6O3S/c1-15(36)32-25-34-24-20(6-4-7-21(24)39-25)38-23-13-18(30-14-31-23)17-10-9-16(26(27,28)29)12-19(17)33-22(37)8-5-11-35(2)3/h4,6-7,9-10,12-14H,5,8,11H2,1-3H3,(H,33,37)(H,32,34,36)
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| InChIKey |
OKOWXDOWGLCCIR-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