General Information of the Compound
| Compound ID |
CP0548923
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| Compound Name |
9-(4-butylphenyl)-2-hydroxy-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
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| Structure |
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| Formula |
C27H25NO3
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| Molecular Weight |
411.501
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| Canonical SMILES |
CCCCc1ccc(cc1)-c1ccc2c3CCc4cc(C(O)=O)c(O)cc4-c3[nH]c2c1
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| InChI |
InChI=1S/C27H25NO3/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-20-21-12-10-19-13-23(27(30)31)25(29)15-22(19)26(21)28-24(20)14-18/h5-9,11,13-15,28-29H,2-4,10,12H2,1H3,(H,30,31)
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| InChIKey |
GKYMXBODVBKZEI-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