General Information of the Compound
| Compound ID |
CP0529137
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| Compound Name |
9-(4-(dimethylamino)phenyl)-2-hydroxy-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
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| Structure |
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| Formula |
C25H22N2O3
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| Molecular Weight |
398.462
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| Canonical SMILES |
CN(C)c1ccc(cc1)-c1ccc2c3CCc4cc(C(O)=O)c(O)cc4-c3[nH]c2c1
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| InChI |
InChI=1S/C25H22N2O3/c1-27(2)17-7-3-14(4-8-17)15-5-9-18-19-10-6-16-11-21(25(29)30)23(28)13-20(16)24(19)26-22(18)12-15/h3-5,7-9,11-13,26,28H,6,10H2,1-2H3,(H,29,30)
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| InChIKey |
FKLAYGMSXDEMTN-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