General Information of the Compound
| Compound ID |
CP0415767
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| Compound Name |
US9034574, XXII
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| Structure |
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| Formula |
C18H14N2OS
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| Molecular Weight |
306.39
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| Canonical SMILES |
Oc1ccc2ccccc2c1C1NN=C(S1)c1ccccc1
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| InChI |
InChI=1S/C18H14N2OS/c21-15-11-10-12-6-4-5-9-14(12)16(15)18-20-19-17(22-18)13-7-2-1-3-8-13/h1-11,18,20-21H
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| InChIKey |
QIHMPEZAXBQNBF-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
Protein ID: PT06623, Methyl-CpG-binding domain protein 2
Protein ID: PT06542, Methyl-CpG-binding protein 2