General Information of the Compound
| Compound ID |
CP0502189
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| Compound Name |
9-(2,6-dimethylphenyl)-2-hydroxy-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid
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| Structure |
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| Formula |
C25H21NO3
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| Molecular Weight |
383.447
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| Canonical SMILES |
Cc1cccc(C)c1-c1ccc2c3CCc4cc(C(O)=O)c(O)cc4-c3[nH]c2c1
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| InChI |
InChI=1S/C25H21NO3/c1-13-4-3-5-14(2)23(13)16-7-8-17-18-9-6-15-10-20(25(28)29)22(27)12-19(15)24(18)26-21(17)11-16/h3-5,7-8,10-12,26-27H,6,9H2,1-2H3,(H,28,29)
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| InChIKey |
JKTYCBUCLGAIIJ-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