General Information of the Compound
| Compound ID |
CP0578416
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| Compound Name |
(3R,4R)-4-fluoro-1-[6-fluoro-1-[(5-fluoropyrimidin-2-yl)methyl]benzimidazol-2-yl]piperidin-3-amine
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| Structure |
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| Formula |
C17H17F3N6
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| Molecular Weight |
362.359
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| Canonical SMILES |
N[C@@H]1CN(CC[C@H]1F)c1nc2ccc(F)cc2n1Cc1ncc(F)cn1
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| InChI |
InChI=1S/C17H17F3N6/c18-10-1-2-14-15(5-10)26(9-16-22-6-11(19)7-23-16)17(24-14)25-4-3-12(20)13(21)8-25/h1-2,5-7,12-13H,3-4,8-9,21H2/t12-,13-/m1/s1
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| InChIKey |
DONHKZQWJGOSSY-CHWSQXEVSA-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