General Information of the Compound
| Compound ID |
CP0869279
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| Compound Name |
[5-(5-Fluoro-4-methyl-1H-benzoimidazol-2-yl)-4-isopropyl-pyrimidin-2-yl]-[3-(1-methyl-piperidin-4-yl)-propyl]-amine
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| Structure |
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| Formula |
C24H33FN6
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| Molecular Weight |
424.568
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| Canonical SMILES |
Cc1c(F)ccc2[nH]c(-c3cnc(NCCCC4CCN(C)CC4)nc3C(C)C)nc12
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| InChI |
InChI=1S/C24H33FN6/c1-15(2)21-18(23-28-20-8-7-19(25)16(3)22(20)29-23)14-27-24(30-21)26-11-5-6-17-9-12-31(4)13-10-17/h7-8,14-15,17H,5-6,9-13H2,1-4H3,(H,28,29)(H,26,27,30)
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| InChIKey |
HGFVXRFLCSVTRB-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