General Information of the Compound
| Compound ID |
CP0378000
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| Compound Name |
3-fluoro-5-(2'-thioxo-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)benzonitrile
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| Structure |
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| Formula |
C20H17FN2S
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| Molecular Weight |
336.435
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| Canonical SMILES |
Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
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| InChI |
InChI=1S/C20H17FN2S/c21-16-9-13(12-22)8-15(10-16)14-4-5-18-17(11-14)20(19(24)23-18)6-2-1-3-7-20/h4-5,8-11H,1-3,6-7H2,(H,23,24)
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| InChIKey |
HJOUYAMEBCDGKK-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: PT01577, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01172, Progesterone receptor