General Information of the Compound
| Compound ID |
CP0254532
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| Compound Name |
(E)-3-[1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
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| Structure |
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| Formula |
C26H20N2O3S2
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| Molecular Weight |
472.591
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| Canonical SMILES |
O=C(NS(=O)(=O)c1cccs1)\C=C\c1cccc2ccn(Cc3ccc4ccccc4c3)c12
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| InChI |
InChI=1S/C26H20N2O3S2/c29-24(27-33(30,31)25-9-4-16-32-25)13-12-21-7-3-8-22-14-15-28(26(21)22)18-19-10-11-20-5-1-2-6-23(20)17-19/h1-17H,18H2,(H,27,29)/b13-12+
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| InChIKey |
BEQMJPPFUNGRON-OUKQBFOZSA-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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