General Information of the Compound
| Compound ID |
CP0498697
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| Compound Name |
(E)-5-Nitro-3-(5-thiophen-3-yl-furan-2-ylmethylene)-1,3-dihydro-indol-2-one
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| Structure |
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| Formula |
C17H10N2O4S
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| Molecular Weight |
338.344
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| Canonical SMILES |
[O-][N+](=O)c1ccc2NC(=O)\C(=C\c3ccc(o3)-c3ccsc3)c2c1
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| InChI |
InChI=1S/C17H10N2O4S/c20-17-14(13-7-11(19(21)22)1-3-15(13)18-17)8-12-2-4-16(23-12)10-5-6-24-9-10/h1-9H,(H,18,20)/b14-8+
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| InChIKey |
CPOKLUGURVHSNY-RIYZIHGNSA-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