General Information of the Compound
| Compound ID |
CP0959710
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-[(2,6-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C21H19F2N5OS
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| Molecular Weight |
427.48
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| Canonical SMILES |
O=C(NCc1c(F)cccc1F)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C21H19F2N5OS/c22-14-4-3-5-15(23)13(14)10-25-21(29)18-12-30-20(28-18)8-9-24-11-19-26-16-6-1-2-7-17(16)27-19/h1-7,12,24H,8-11H2,(H,25,29)(H,26,27)
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| InChIKey |
IXTMXTJRVSCXHA-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