General Information of the Compound
| Compound ID |
CP0458666
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| Compound Name |
5-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-2-(4-bromophenyl)-2-propan-2-ylpentanoic acid
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| Structure |
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| Formula |
C25H32BrN3O2
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| Molecular Weight |
486.454
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| Canonical SMILES |
CC(C)C(CCCN(C)CCCc1nc2ccccc2[nH]1)(C(O)=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C25H32BrN3O2/c1-18(2)25(24(30)31,19-11-13-20(26)14-12-19)15-7-17-29(3)16-6-10-23-27-21-8-4-5-9-22(21)28-23/h4-5,8-9,11-14,18H,6-7,10,15-17H2,1-3H3,(H,27,28)(H,30,31)
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| InChIKey |
LEPQXYIVINREHI-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