General Information of the Compound
| Compound ID |
CP0127889
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| Compound Name |
N-[3-(diethylamino)propyl]-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 |
C33H55N3O3
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| Molecular Weight |
541.821
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| Canonical SMILES |
CCN(CC)CCCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1
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| InChI |
InChI=1S/C33H55N3O3/c1-9-32(38,10-2)21-24-39-29-19-17-27(25-26(29)8)33(11-3,12-4)30-20-18-28(36(30)15-7)31(37)34-22-16-23-35(13-5)14-6/h17-20,25,38H,9-16,21-24H2,1-8H3,(H,34,37)
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| InChIKey |
UQFOFVAWUNYLAO-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 | |
| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 40 nM
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| CL000159 | L-02 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 370 nM
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