General Information of the Compound
| Compound ID |
CP0559971
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| Compound Name |
CHEMBL3775607
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| Formula |
C28H41N5O
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| Molecular Weight |
463.67
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| Canonical SMILES |
CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CCN(C)C[C@@H]2C(=O)Nc2ccc(C)cc2C)n1C1CC1
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| InChI |
InChI=1S/C28H41N5O/c1-17(2)12-20-14-21(15-20)26-30-31-27(33(26)22-7-8-22)23-10-11-32(5)16-24(23)28(34)29-25-9-6-18(3)13-19(25)4/h6,9,13,17,20-24H,7-8,10-12,14-16H2,1-5H3,(H,29,34)/t20-,21+,23-,24-/m0/s1
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| InChIKey |
SCOBGZSQIQVPNC-DVKRWUGUSA-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