General Information of the Compound
| Compound ID |
CP0372500
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| Compound Name |
3-(3-Benzyl-8-chlorocinnolin-4-yl)phenyl][(1-methyl-1H-indol-2-yl)methyl]amine
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| Structure |
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| Formula |
C31H25ClN4
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| Molecular Weight |
489.022
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| Canonical SMILES |
Cn1c(CNc2cccc(c2)-c2c(Cc3ccccc3)nnc3c(Cl)cccc23)cc2ccccc12
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| InChI |
InChI=1S/C31H25ClN4/c1-36-25(19-22-11-5-6-16-29(22)36)20-33-24-13-7-12-23(18-24)30-26-14-8-15-27(32)31(26)35-34-28(30)17-21-9-3-2-4-10-21/h2-16,18-19,33H,17,20H2,1H3
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| InChIKey |
VFJCBPIZXGHCID-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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta