General Information of the Compound
| Compound ID |
CP0482751
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| Compound Name |
4-Chloro-2-[3-(1H-indol-2-yl)-ureido]-benzoic acid
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| Structure |
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| Formula |
C16H12ClN3O3
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| Molecular Weight |
329.743
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| Canonical SMILES |
OC(=O)c1ccc(Cl)cc1NC(=O)Nc1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C16H12ClN3O3/c17-10-5-6-11(15(21)22)13(8-10)19-16(23)20-14-7-9-3-1-2-4-12(9)18-14/h1-8,18H,(H,21,22)(H2,19,20,23)
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| InChIKey |
JPANNLQLRVGBRA-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