General Information of the Compound
| Compound ID |
CP0494611
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| Compound Name |
methyl 5-[3-(6-methoxy-1H-benzimidazol-2-yl)propyl-methylamino]-2-(4-methoxyphenyl)-2-propan-2-ylpentanoate
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| Structure |
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| Formula |
C28H39N3O4
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| Molecular Weight |
481.637
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| Canonical SMILES |
COC(=O)C(CCCN(C)CCCc1nc2ccc(OC)cc2[nH]1)(C(C)C)c1ccc(OC)cc1
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| InChI |
InChI=1S/C28H39N3O4/c1-20(2)28(27(32)35-6,21-10-12-22(33-4)13-11-21)16-8-18-31(3)17-7-9-26-29-24-15-14-23(34-5)19-25(24)30-26/h10-15,19-20H,7-9,16-18H2,1-6H3,(H,29,30)
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| InChIKey |
DLWFVOPXZORRGF-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