General Information of the Compound
| Compound ID |
CP0803172
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| Compound Name |
SID17504147
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| Formula |
C18H12BrFN4OS
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| Molecular Weight |
431.29
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| Canonical SMILES |
Oc1c2cnnc-2nc(SCc2ccccc2F)n1-c1ccc(Br)cc1
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| InChI |
InChI=1S/C18H12BrFN4OS/c19-12-5-7-13(8-6-12)24-17(25)14-9-21-23-16(14)22-18(24)26-10-11-3-1-2-4-15(11)20/h1-9,25H,10H2
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| InChIKey |
SMEQVOAIGMUQQE-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: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3