General Information of the Compound
| Compound ID |
CP0489986
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| Compound Name |
2-(7-(4-butylphenyl)-6-fluoro-5,10-dihydroindeno[1,2-b]indol-2-ylamino)-2-oxoacetic acid
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| Structure |
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| Formula |
C27H23FN2O3
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| Molecular Weight |
442.49
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| Canonical SMILES |
CCCCc1ccc(cc1)-c1ccc2c3Cc4cc(NC(=O)C(O)=O)ccc4-c3[nH]c2c1F
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| InChI |
InChI=1S/C27H23FN2O3/c1-2-3-4-15-5-7-16(8-6-15)19-11-12-21-22-14-17-13-18(29-26(31)27(32)33)9-10-20(17)24(22)30-25(21)23(19)28/h5-13,30H,2-4,14H2,1H3,(H,29,31)(H,32,33)
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| InChIKey |
KBHMPAXRTWKCOT-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