General Information of the Compound
| Compound ID |
CP0458491
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| Compound Name |
CHEMBL3775304
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| Formula |
C24H34N4O
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| Molecular Weight |
394.563
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| Canonical SMILES |
CC(C)C[C@H]1C[C@@H](C1)c1nnc(CCC(=O)Nc2ccc(C)cc2C)n1C1CC1
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| InChI |
InChI=1S/C24H34N4O/c1-15(2)11-18-13-19(14-18)24-27-26-22(28(24)20-6-7-20)9-10-23(29)25-21-8-5-16(3)12-17(21)4/h5,8,12,15,18-20H,6-7,9-11,13-14H2,1-4H3,(H,25,29)/t18-,19-
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| InChIKey |
QXVCIRQISSQIGQ-WGSAOQKQSA-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: PT05439, Nuclear receptor ROR-gamma
Protein ID: PT02663, Nuclear receptor ROR-gamma