General Information of the Compound
| Compound ID |
CP0124899
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| Compound Name |
4-Chloro-2-{[1-(3-chloro-benzo[b]thiophen-2-yl)-meth-(E)-ylidene]-amino}-phenol
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| Formula |
C15H9Cl2NOS
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| Molecular Weight |
322.216
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| Canonical SMILES |
Oc1ccc(Cl)cc1\N=C\c1sc2ccccc2c1Cl
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| InChI |
InChI=1S/C15H9Cl2NOS/c16-9-5-6-12(19)11(7-9)18-8-14-15(17)10-3-1-2-4-13(10)20-14/h1-8,19H/b18-8+
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| InChIKey |
AWZCZZCNLMDIIW-QGMBQPNBSA-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
Protein ID: PT06109, Geminin
Protein ID: PT01214, Tyrosine-protein kinase JAK2