General Information of the Compound
| Compound ID |
CP0880274
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| Compound Name |
2-{1-[2-(1H-1,3-Benzodiazol-2-yl)ethyl]-3-methylazetidin-3-yl}-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C23H23FN6OS
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| Molecular Weight |
450.543
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| Canonical SMILES |
CC1(c2nc(C(=O)NCc3ncccc3F)cs2)CN(CCc2nc3ccccc3[nH]2)C1
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| InChI |
InChI=1S/C23H23FN6OS/c1-23(13-30(14-23)10-8-20-27-16-6-2-3-7-17(16)28-20)22-29-19(12-32-22)21(31)26-11-18-15(24)5-4-9-25-18/h2-7,9,12H,8,10-11,13-14H2,1H3,(H,26,31)(H,27,28)
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| InChIKey |
ZOFPXQBJJVWSCT-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