General Information of the Compound
| Compound ID |
CP0578621
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| Compound Name |
4-[[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]carbamothioylamino]benzoic acid
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| Structure |
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| Formula |
C23H20FN3O2S
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| Molecular Weight |
421.497
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| Canonical SMILES |
OC(=O)c1ccc(NC(=S)Nc2ccc3N(Cc4ccc(F)cc4)CCc3c2)cc1
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| InChI |
InChI=1S/C23H20FN3O2S/c24-18-5-1-15(2-6-18)14-27-12-11-17-13-20(9-10-21(17)27)26-23(30)25-19-7-3-16(4-8-19)22(28)29/h1-10,13H,11-12,14H2,(H,28,29)(H2,25,26,30)
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| InChIKey |
XUZAEKCDHRNCBE-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