General Information of the Compound
| Compound ID |
CP0903754
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| Compound Name |
2-{1-[3-(1H-1,3-Benzodiazol-2-yl)propyl]azetidin-3-yl}-N-[(3-fluoropyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide
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| Structure |
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| Formula |
C23H23FN6O2
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| Molecular Weight |
434.475
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1coc(C2CN(CCCc3nc4ccccc4[nH]3)C2)n1
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| InChI |
InChI=1S/C23H23FN6O2/c24-16-5-3-9-25-19(16)11-26-22(31)20-14-32-23(29-20)15-12-30(13-15)10-4-8-21-27-17-6-1-2-7-18(17)28-21/h1-3,5-7,9,14-15H,4,8,10-13H2,(H,26,31)(H,27,28)
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| InChIKey |
RSJPKWVREVVWEK-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