General Information of the Compound
| Compound ID |
CP0570429
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| Compound Name |
ethyl 2-(naphthalen-1-ylcarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
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| Structure |
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| Formula |
C21H20N2O3S
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| Molecular Weight |
380.469
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| Canonical SMILES |
CCOC(=O)c1c(NC(=O)Nc2cccc3ccccc23)sc2CCCc12
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| InChI |
InChI=1S/C21H20N2O3S/c1-2-26-20(24)18-15-10-6-12-17(15)27-19(18)23-21(25)22-16-11-5-8-13-7-3-4-9-14(13)16/h3-5,7-9,11H,2,6,10,12H2,1H3,(H2,22,23,25)
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| InChIKey |
IIICWWSMQWRBMV-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