General Information of the Compound
| Compound ID |
CP0487902
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| Compound Name |
N-[3-[4-[3-(ethylamino)phenyl]piperidin-1-yl]propyl]-1-(4-fluorophenyl)benzimidazol-2-amine
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| Structure |
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| Formula |
C29H34FN5
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| Molecular Weight |
471.624
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| Canonical SMILES |
CCNc1cccc(c1)C1CCN(CCCNc2nc3ccccc3n2-c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C29H34FN5/c1-2-31-25-8-5-7-23(21-25)22-15-19-34(20-16-22)18-6-17-32-29-33-27-9-3-4-10-28(27)35(29)26-13-11-24(30)12-14-26/h3-5,7-14,21-22,31H,2,6,15-20H2,1H3,(H,32,33)
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| InChIKey |
FMODLRJXIQQOLL-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