General Information of the Compound
| Compound ID |
CP0571609
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| Compound Name |
(3R,4R)-1-[5,6-difluoro-1-[(5-methylpyridin-2-yl)methyl]benzimidazol-2-yl]-4-fluoropiperidin-3-amine
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| Structure |
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| Formula |
C19H20F3N5
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| Molecular Weight |
375.398
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| Canonical SMILES |
Cc1ccc(Cn2c(nc3cc(F)c(F)cc23)N2CC[C@@H](F)[C@H](N)C2)nc1
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| InChI |
InChI=1S/C19H20F3N5/c1-11-2-3-12(24-8-11)9-27-18-7-15(22)14(21)6-17(18)25-19(27)26-5-4-13(20)16(23)10-26/h2-3,6-8,13,16H,4-5,9-10,23H2,1H3/t13-,16-/m1/s1
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| InChIKey |
XQBAPJWYRODRGP-CZUORRHYSA-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