General Information of the Compound
| Compound ID |
CP0431125
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| Compound Name |
methyl 2-(4-bromophenyl)-5-[3-(6-methoxy-1H-benzimidazol-2-yl)propyl-methylamino]-2-propan-2-ylpentanoate
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| Structure |
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| Formula |
C27H36BrN3O3
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| Molecular Weight |
530.507
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| Canonical SMILES |
COC(=O)C(CCCN(C)CCCc1nc2ccc(OC)cc2[nH]1)(C(C)C)c1ccc(Br)cc1
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| InChI |
InChI=1S/C27H36BrN3O3/c1-19(2)27(26(32)34-5,20-9-11-21(28)12-10-20)15-7-17-31(3)16-6-8-25-29-23-14-13-22(33-4)18-24(23)30-25/h9-14,18-19H,6-8,15-17H2,1-5H3,(H,29,30)
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| InChIKey |
FHNVQVDXVFHHAO-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