General Information of the Compound
| Compound ID |
CP0514526
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| Compound Name |
methyl 5-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-2-(4-methoxyphenyl)-2-propan-2-ylpentanoate
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| Structure |
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| Formula |
C27H37N3O3
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| Molecular Weight |
451.611
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| Canonical SMILES |
COC(=O)C(CCCN(C)CCCc1nc2ccccc2[nH]1)(C(C)C)c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H37N3O3/c1-20(2)27(26(31)33-5,21-13-15-22(32-4)16-14-21)17-9-19-30(3)18-8-12-25-28-23-10-6-7-11-24(23)29-25/h6-7,10-11,13-16,20H,8-9,12,17-19H2,1-5H3,(H,28,29)
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| InChIKey |
SGHMOVIPJAPWBW-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