General Information of the Compound
| Compound ID |
CP0109095
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| Compound Name |
2-[(1R,3R)-1-(4-chlorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol
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| Structure |
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| Formula |
C20H21ClN2O
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| Molecular Weight |
340.854
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCO)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H21ClN2O/c1-13-12-17-16-4-2-3-5-18(16)22-19(17)20(23(13)10-11-24)14-6-8-15(21)9-7-14/h2-9,13,20,22,24H,10-12H2,1H3/t13-,20-/m1/s1
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| InChIKey |
AMHQHODPRWKKPO-ZUOKHONESA-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: PT00886, Estrogen receptor
Protein ID: PT01172, Progesterone receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 13803.84 nM
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TI
LI
LO
TS
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