General Information of the Compound
| Compound ID |
CP0902771
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| Compound Name |
[5-(4,5-Difluoro-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 |
C21H26F2N6
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| Molecular Weight |
400.477
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| Canonical SMILES |
Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(F)c(F)ccc2[nH]1
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| InChI |
InChI=1S/C21H26F2N6/c1-13-15(20-27-17-6-5-16(22)18(23)19(17)28-20)12-25-21(26-13)24-9-3-4-14-7-10-29(2)11-8-14/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,27,28)(H,24,25,26)
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| InChIKey |
FGPDYHWYLFFVRS-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