General Information of the Compound
| Compound ID |
CP0574570
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| Compound Name |
N-[(4-bromo-2-methylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C16H13BrN2O3S
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| Molecular Weight |
393.262
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| Canonical SMILES |
Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C16H13BrN2O3S/c1-9-6-11(17)3-4-12(9)18-16(23)19-15(20)10-2-5-13-14(7-10)22-8-21-13/h2-7H,8H2,1H3,(H2,18,19,20,23)
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| InChIKey |
PTWGQUCEWJMMLN-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