General Information of the Compound
| Compound ID |
CP0510081
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| Compound Name |
9-(4-butylphenyl)-10-fluoro-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
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| Structure |
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| Formula |
C27H24FNO2
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| Molecular Weight |
413.492
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| Canonical SMILES |
CCCCc1ccc(cc1)-c1ccc2c3CCc4cc(ccc4-c3[nH]c2c1F)C(O)=O
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| InChI |
InChI=1S/C27H24FNO2/c1-2-3-4-16-5-7-17(8-6-16)20-13-14-23-22-12-9-18-15-19(27(30)31)10-11-21(18)25(22)29-26(23)24(20)28/h5-8,10-11,13-15,29H,2-4,9,12H2,1H3,(H,30,31)
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| InChIKey |
INVHKKQZPYHSEW-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