General Information of the Compound
| Compound ID |
CP0552229
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| Compound Name |
N-(2,2-dimethoxyethyl)-1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxamide
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| Structure |
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| Formula |
C29H46N2O5
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| Molecular Weight |
502.696
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCC(OC)OC
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| InChI |
InChI=1S/C29H46N2O5/c1-10-29(11-2,21-13-15-23(20(4)17-21)36-19-25(32)28(5,6)7)24-16-14-22(31(24)12-3)27(33)30-18-26(34-8)35-9/h13-17,25-26,32H,10-12,18-19H2,1-9H3,(H,30,33)
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| InChIKey |
MMOKGPDBUYJSAM-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 = 23200 nM
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TI
LI
LO
TS
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| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 50000 nM
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TI
LI
LO
TS
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