General Information of the Compound
| Compound ID |
CP0439347
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| Compound Name |
3,3-Dimethyl-5-(5-nitro-thiophen-2-yl)-1,3-dihydro-indol-2-one
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| Structure |
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| Formula |
C14H12N2O3S
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| Molecular Weight |
288.328
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| Canonical SMILES |
CC1(C)C(=O)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H12N2O3S/c1-14(2)9-7-8(3-4-10(9)15-13(14)17)11-5-6-12(20-11)16(18)19/h3-7H,1-2H3,(H,15,17)
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| InChIKey |
JAVOWJGHPLYUGR-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