General Information of the Compound
| Compound ID |
CP0249991
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| Compound Name |
N-[(2-methyl-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]pyridin-2-amine
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| Structure |
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| Formula |
C24H25N3
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| Molecular Weight |
355.485
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| Canonical SMILES |
CC(C)c1ccc(cc1)C(Nc1ccccn1)c1c(C)[nH]c2ccccc12
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| InChI |
InChI=1S/C24H25N3/c1-16(2)18-11-13-19(14-12-18)24(27-22-10-6-7-15-25-22)23-17(3)26-21-9-5-4-8-20(21)23/h4-16,24,26H,1-3H3,(H,25,27)
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| InChIKey |
SNPUCSRKOVBXOF-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 | |
| CL000025 | HEK-293T | Homo sapiens (Human) | 1 |
| 1 |
LD50 = 18000 nM
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TI
LI
LO
TS
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