General Information of the Compound
| Compound ID |
CP0442996
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| Compound Name |
2-{1-[(4,5-dichlorothiophene-2-)sulfonyl]-1H-indol-3-yl}ethan-1-amine
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| Structure |
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| Formula |
C14H12Cl2N2O2S2
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| Molecular Weight |
375.302
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| Canonical SMILES |
NCCc1cn(c2ccccc12)S(=O)(=O)c1cc(Cl)c(Cl)s1
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| InChI |
InChI=1S/C14H12Cl2N2O2S2/c15-11-7-13(21-14(11)16)22(19,20)18-8-9(5-6-17)10-3-1-2-4-12(10)18/h1-4,7-8H,5-6,17H2
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| InChIKey |
MABZHQLBNXZJBS-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