General Information of the Compound
| Compound ID |
CP0382327
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| Compound Name |
CHEMBL3598059
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| Formula |
C30H33ClFN5O3
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| Molecular Weight |
569.0953053
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| Canonical SMILES |
[2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)[C@@H]2C[C@H](O)C2)nn1C(C)C
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| InChI |
InChI=1S/C30H33ClFN5O3/c1-16(2)37-25(13-27(34-37)33-29(39)18-10-21(38)11-18)17-7-8-24(26(12-17)36-14-19-9-20(19)15-36)35(3)30(40)28-22(31)5-4-6-23(28)32/h4-8,12-13,16,18-21,38H,9-11,14-15H2,1-3H3,(H,33,34,39)/t18-,19?,20?,21+/i3D3
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| InChIKey |
XBIFCTLXILYDKJ-NTGFBHAESA-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: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT05439, Nuclear receptor ROR-gamma