General Information of the Compound
| Compound ID |
CP0313014
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| Compound Name |
1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
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| Structure |
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| Formula |
C32H51N3O4
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| Molecular Weight |
541.777
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCCN1CCOCC1
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| InChI |
InChI=1S/C32H51N3O4/c1-8-32(9-2,25-12-14-27(24(4)22-25)39-23-29(36)31(5,6)7)28-15-13-26(35(28)10-3)30(37)33-16-11-17-34-18-20-38-21-19-34/h12-15,22,29,36H,8-11,16-21,23H2,1-7H3,(H,33,37)
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| InChIKey |
CFKHAUNRVBULOY-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 | |
| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1290 nM
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| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2070 nM
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