General Information of the Compound
| Compound ID |
CP0425353
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| Compound Name |
MLS-0390927.0001
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| Structure |
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| Formula |
C18H15N3O2S
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| Molecular Weight |
337.404
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| Canonical SMILES |
CSc1nc(nc(n1)-c1ccccc1OC(C)=O)-c1ccccc1
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| InChI |
InChI=1S/C18H15N3O2S/c1-12(22)23-15-11-7-6-10-14(15)17-19-16(20-18(21-17)24-2)13-8-4-3-5-9-13/h3-11H,1-2H3
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| InChIKey |
AQOBMOJESPQNPD-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