General Information of the Compound
| Compound ID |
CP0189115
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| Compound Name |
(E)-3-(1-benzylindol-7-yl)-N-thiophen-2-ylsulfonylprop-2-enamide
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| Structure |
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| Formula |
C22H18N2O3S2
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| Molecular Weight |
422.531
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| Canonical SMILES |
O=C(NS(=O)(=O)c1cccs1)\C=C\c1cccc2ccn(Cc3ccccc3)c12
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| InChI |
InChI=1S/C22H18N2O3S2/c25-20(23-29(26,27)21-10-5-15-28-21)12-11-18-8-4-9-19-13-14-24(22(18)19)16-17-6-2-1-3-7-17/h1-15H,16H2,(H,23,25)/b12-11+
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| InChIKey |
TVIXEGZNIIFRJF-VAWYXSNFSA-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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