General Information of the Compound
| Compound ID |
CP0504622
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid [1-(2,3,5,6-tetramethyl-benzyl)-1H-indol-4-ylmethylene]-hydrazide
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| Structure |
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| Formula |
C27H26ClN3O2
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| Molecular Weight |
459.977
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| Canonical SMILES |
Cc1cc(C)c(C)c(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(Cl)c4)cccc23)c1C
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| InChI |
InChI=1S/C27H26ClN3O2/c1-16-12-17(2)19(4)23(18(16)3)15-31-11-10-22-21(6-5-7-25(22)31)14-29-30-27(33)20-8-9-26(32)24(28)13-20/h5-14,32H,15H2,1-4H3,(H,30,33)/b29-14+
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| InChIKey |
LSELQPPLNRLWOX-IPPBACCNSA-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