General Information of the Compound
| Compound ID |
CP0487874
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| Compound Name |
5-butyl-2-tert-butylphenanthridin-6-one
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| Structure |
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| Formula |
C21H25NO
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| Molecular Weight |
307.437
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| Canonical SMILES |
CCCCn1c2ccc(cc2c2ccccc2c1=O)C(C)(C)C
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| InChI |
InChI=1S/C21H25NO/c1-5-6-13-22-19-12-11-15(21(2,3)4)14-18(19)16-9-7-8-10-17(16)20(22)23/h7-12,14H,5-6,13H2,1-4H3
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| InChIKey |
ZSNPVTVSKMYBCK-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: PT02658, Nuclear receptor ROR-alpha
Protein ID: PT03033, Nuclear receptor ROR-beta
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01172, Progesterone receptor