General Information of the Compound
| Compound ID |
CP0429824
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| Compound Name |
MLS-0463381.0001
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| Structure |
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| Formula |
C15H12N2OS2
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| Molecular Weight |
300.408
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| Canonical SMILES |
O=C(Nc1nc2CCCc2s1)c1cc2ccccc2s1
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| InChI |
InChI=1S/C15H12N2OS2/c18-14(13-8-9-4-1-2-6-11(9)19-13)17-15-16-10-5-3-7-12(10)20-15/h1-2,4,6,8H,3,5,7H2,(H,16,17,18)
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| InChIKey |
JKMZIFLIUNKSLZ-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: PT00840, Adenosine receptor A1
Protein ID: PT05120, Transmembrane domain-containing protein TMIGD3