General Information of the Compound
| Compound ID |
CP0404871
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| Compound Name |
5-(7-fluoro-3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-methylpyrrole-2-carbonitrile
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| Synonyms |
5-(7-fluoro-3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-methylpyrrole-2-carbonitrile
872141-23-6
BCP21063
BDBM50375827
CHEMBL407848
GTPL8664
KB-81484
KIOOLNRTWPFVHX-UHFFFAOYSA-N
SB18886
SCHEMBL1537222
WAY 255348
WAY-255348
WAY255348
ZINC29133439
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| Structure |
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| Formula |
C16H14FN3O
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| Molecular Weight |
283.306
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| Canonical SMILES |
Cn1c(ccc1-c1cc2c(NC(=O)C2(C)C)c(F)c1)C#N
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| InChI |
InChI=1S/C16H14FN3O/c1-16(2)11-6-9(7-12(17)14(11)19-15(16)21)13-5-4-10(8-18)20(13)3/h4-7H,1-3H3,(H,19,21)
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| InChIKey |
KIOOLNRTWPFVHX-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: PT00894, Androgen receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor
Clinical Information about the Compound