General Information of the Compound
| Compound ID |
CP0475041
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| Compound Name |
(3E)-3-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]inden-1-one
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| Structure |
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| Formula |
C18H13N3O2S
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| Molecular Weight |
335.388
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| Canonical SMILES |
Oc1cccc(c1)-c1csc(N\N=C2/CC(=O)c3ccccc23)n1
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| InChI |
InChI=1S/C18H13N3O2S/c22-12-5-3-4-11(8-12)16-10-24-18(19-16)21-20-15-9-17(23)14-7-2-1-6-13(14)15/h1-8,10,22H,9H2,(H,19,21)/b20-15+
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| InChIKey |
IJUOIRMCCFIGCW-HMMYKYKNSA-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