General Information of the Compound
| Compound ID |
CP0305346
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| Compound Name |
2-[9-Fluoro-2,2,4-trimethyl-1,2-dihydro-6-oxa-1-aza-chrysen-(5Z)-ylidenemethyl]-benzonitrile
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| Structure |
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| Formula |
C27H21FN2O
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| Molecular Weight |
408.476
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4C#N)c3c12
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| InChI |
InChI=1S/C27H21FN2O/c1-16-14-27(2,3)30-22-10-9-20-21-13-19(28)8-11-23(21)31-24(26(20)25(16)22)12-17-6-4-5-7-18(17)15-29/h4-14,30H,1-3H3/b24-12-
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| InChIKey |
GPYINFZHNYJFJI-MSXFZWOLSA-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