General Information of the Compound
| Compound ID |
CP0180831
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| Compound Name |
1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
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| Structure |
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| Formula |
C33H53N3O4
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| Molecular Weight |
555.804
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NCCCN1CCOCC1
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| InChI |
InChI=1S/C33H53N3O4/c1-7-32(38,8-2)17-22-40-29-15-13-27(25-26(29)6)33(9-3,10-4)30-16-14-28(36(30)11-5)31(37)34-18-12-19-35-20-23-39-24-21-35/h13-16,25,38H,7-12,17-24H2,1-6H3,(H,34,37)
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| InChIKey |
CUVXDXFOSNOFHC-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
Protein ID: PT02378, Vitamin D3 receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 260 nM
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