General Information of the Compound
| Compound ID |
CP0008908
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| Compound Name |
1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
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| Structure |
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| Formula |
C28H44N2O4
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| Molecular Weight |
472.67
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N[C@@H](C)CO
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| InChI |
InChI=1S/C28H44N2O4/c1-9-28(10-2,24-15-13-22(30(24)11-3)26(33)29-20(5)17-31)21-12-14-23(19(4)16-21)34-18-25(32)27(6,7)8/h12-16,20,25,31-32H,9-11,17-18H2,1-8H3,(H,29,33)/t20-,25?/m0/s1
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| InChIKey |
SLBBZSWGKDNDJZ-JINQPTGOSA-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