General Information of the Compound
| Compound ID |
CP0429902
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| Compound Name |
N-[2-[2-[2-[2-[3-(4-methoxybenzoyl)-1-(oxan-4-ylmethyl)indol-5-yl]oxyethoxy]ethoxy]ethoxy]ethyl]acetamide
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| Structure |
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| Formula |
C32H42N2O8
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| Molecular Weight |
582.694
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| Canonical SMILES |
COc1ccc(cc1)C(=O)c1cn(CC2CCOCC2)c2ccc(OCCOCCOCCOCCNC(C)=O)cc12
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| InChI |
InChI=1S/C32H42N2O8/c1-24(35)33-11-14-39-15-16-40-17-18-41-19-20-42-28-7-8-31-29(21-28)30(23-34(31)22-25-9-12-38-13-10-25)32(36)26-3-5-27(37-2)6-4-26/h3-8,21,23,25H,9-20,22H2,1-2H3,(H,33,35)
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| InChIKey |
JCSXTLYBYJBFDW-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