General Information of the Compound
| Compound ID |
CP0267831
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| Compound Name |
3-[4-[anilino-(2-methyl-1H-indol-3-yl)methyl]phenyl]propan-1-ol
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| Structure |
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| Formula |
C25H26N2O
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| Molecular Weight |
370.496
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| Canonical SMILES |
Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc(CCCO)cc1
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| InChI |
InChI=1S/C25H26N2O/c1-18-24(22-11-5-6-12-23(22)26-18)25(27-21-9-3-2-4-10-21)20-15-13-19(14-16-20)8-7-17-28/h2-6,9-16,25-28H,7-8,17H2,1H3
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| InChIKey |
KAOODWWVZHYMNZ-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 |
LC50 = 31400 nM
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TI
LI
LO
TS
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