General Information of the Compound
| Compound ID |
CP0479081
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| Compound Name |
4-[2-[(1R,2R)-1-amino-2-methoxypropyl]-3H-benzimidazol-5-yl]-3-fluorobenzonitrile
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| Structure |
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| Formula |
C18H17FN4O
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| Molecular Weight |
324.359
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| Canonical SMILES |
CO[C@H](C)[C@H](N)c1nc2cc(ccc2[nH]1)-c1ccc(cc1F)C#N
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| InChI |
InChI=1S/C18H17FN4O/c1-10(24-2)17(21)18-22-15-6-4-12(8-16(15)23-18)13-5-3-11(9-20)7-14(13)19/h3-8,10,17H,21H2,1-2H3,(H,22,23)/t10-,17+/m1/s1
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| InChIKey |
BPXICYXGGPFBIH-QGHHPUGFSA-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