General Information of the Compound
| Compound ID |
CP0326261
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| Compound Name |
N-(cyanomethyl)-1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxamide
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| Structure |
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| Formula |
C28H41N3O3
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| Molecular Weight |
467.654
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NCC#N
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| InChI |
InChI=1S/C28H41N3O3/c1-7-27(33,8-2)16-19-34-24-14-12-22(20-21(24)6)28(9-3,10-4)25-15-13-23(31(25)11-5)26(32)30-18-17-29/h12-15,20,33H,7-11,16,18-19H2,1-6H3,(H,30,32)
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| InChIKey |
WSEGXYMWZZQTJG-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 | |
| CL000159 | L-02 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 50000 nM
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