General Information of the Compound
| Compound ID |
CP0421676
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| Compound Name |
(3Z)-5-methyl-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
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| Structure |
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| Formula |
C14H12N2O
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| Molecular Weight |
224.263
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| Canonical SMILES |
Cc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
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| InChI |
InChI=1S/C14H12N2O/c1-9-4-5-13-11(7-9)12(14(17)16-13)8-10-3-2-6-15-10/h2-8,15H,1H3,(H,16,17)/b12-8-
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| InChIKey |
SGKVGSSCLHVXJK-WQLSENKSSA-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