General Information of the Compound
| Compound ID |
CP0100481
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| Compound Name |
N-[3-(diethylamino)propyl]-5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-ethylpyrrole-2-carboxamide
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| Structure |
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| Formula |
C32H51N3O3
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| Molecular Weight |
525.778
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| Canonical SMILES |
CCN(CC)CCCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C32H51N3O3/c1-10-32(11-2,25-16-18-27(24(6)22-25)38-23-29(36)31(7,8)9)28-19-17-26(35(28)14-5)30(37)33-20-15-21-34(12-3)13-4/h16-19,22H,10-15,20-21,23H2,1-9H3,(H,33,37)
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| InChIKey |
DCTNQPAGKVHFJZ-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 = 180 nM
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