General Information of the Compound
| Compound ID |
CP0088155
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| Compound Name |
9-Fluoro-2,2,4-trimethyl-5-[1-thiophen-3-yl-meth-(Z)-ylidene]-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C24H20FNOS
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| Molecular Weight |
389.495
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccsc4)c3c12
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| InChI |
InChI=1S/C24H20FNOS/c1-14-12-24(2,3)26-19-6-5-17-18-11-16(25)4-7-20(18)27-21(23(17)22(14)19)10-15-8-9-28-13-15/h4-13,26H,1-3H3/b21-10-
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| InChIKey |
MYDJWFCWWHPKCH-FBHDLOMBSA-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: PT00967, Glucocorticoid receptor
Protein ID: PT01172, Progesterone receptor