General Information of the Compound
| Compound ID |
CP0881838
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| Compound Name |
[5-(6-Fluoro-4-methyl-1H-benzoimidazol-2-yl)-4-methyl-pyrimidin-2-yl]-[3-(1-methyl-piperidin-4-yl)-propyl]-amine
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| Structure |
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| Formula |
C22H29FN6
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| Molecular Weight |
396.514
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| Canonical SMILES |
Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)cc(F)cc2[nH]1
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| InChI |
InChI=1S/C22H29FN6/c1-14-11-17(23)12-19-20(14)28-21(27-19)18-13-25-22(26-15(18)2)24-8-4-5-16-6-9-29(3)10-7-16/h11-13,16H,4-10H2,1-3H3,(H,27,28)(H,24,25,26)
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| InChIKey |
KYERXDDXJNCIFV-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