General Information of the Compound
| Compound ID |
CP0380333
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| Compound Name |
tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-3-cyanopyridin-2-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C24H28ClN5O3
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| Molecular Weight |
469.973
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| Canonical SMILES |
CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N2CCN(CC2)C(=O)OC(C)(C)C)c(c1)C#N
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| InChI |
InChI=1S/C24H28ClN5O3/c1-24(2,3)33-23(32)30-10-8-29(9-11-30)21-17(14-26)12-18(15-27-21)16-6-7-19(20(25)13-16)22(31)28(4)5/h6-7,12-13,15H,8-11H2,1-5H3
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| InChIKey |
GGBFPOANZPHQBF-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