General Information of the Compound
| Compound ID |
CP0778920
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| Compound Name |
1-[9-Fluoro-2,2,4-trimethyl-1,2-dihydro-6-oxa-1-aza-chrysen-(5Z)-ylidene]-propan-2-one
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| Structure |
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| Formula |
C22H20FNO2
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| Molecular Weight |
349.405
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| Canonical SMILES |
CC(=O)/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3
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| InChI |
InChI=1S/C22H20FNO2/c1-12-11-22(3,4)24-17-7-6-15-16-10-14(23)5-8-18(16)26-19(9-13(2)25)21(15)20(12)17/h5-11,24H,1-4H3/b19-9-
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| InChIKey |
PFTDSYWCTDJYSP-OCKHKDLRSA-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