General Information of the Compound
| Compound ID |
CP0174617
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| Compound Name |
methyl 5-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-2-(4-bromophenyl)-2-propan-2-ylpentanoate
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| Structure |
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| Formula |
C26H34BrN3O2
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| Molecular Weight |
500.481
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| Canonical SMILES |
COC(=O)C(CCCN(C)CCCc1nc2ccccc2[nH]1)(C(C)C)c1ccc(Br)cc1
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| InChI |
InChI=1S/C26H34BrN3O2/c1-19(2)26(25(31)32-4,20-12-14-21(27)15-13-20)16-8-18-30(3)17-7-11-24-28-22-9-5-6-10-23(22)29-24/h5-6,9-10,12-15,19H,7-8,11,16-18H2,1-4H3,(H,28,29)
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| InChIKey |
DUAKQKCVTZFHSD-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