General Information of the Compound
| Compound ID |
CP0491414
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| Compound Name |
2-hydroxy-9-(4-(methoxymethyl)phenyl)-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
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| Structure |
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| Formula |
C25H21NO4
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| Molecular Weight |
399.446
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| Canonical SMILES |
COCc1ccc(cc1)-c1ccc2c3CCc4cc(C(O)=O)c(O)cc4-c3[nH]c2c1
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| InChI |
InChI=1S/C25H21NO4/c1-30-13-14-2-4-15(5-3-14)16-6-8-18-19-9-7-17-10-21(25(28)29)23(27)12-20(17)24(19)26-22(18)11-16/h2-6,8,10-12,26-27H,7,9,13H2,1H3,(H,28,29)
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| InChIKey |
JFLMBIQWEWWTSI-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