General Information of the Compound
| Compound ID |
CP0491654
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| Compound Name |
US9303045, 4
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| Structure |
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| Formula |
C18H23N3O4S
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| Molecular Weight |
377.466
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| Canonical SMILES |
CN1C2CCCC1CC(C2)OC(=O)c1nn(c2ccccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C18H23N3O4S/c1-20-12-6-5-7-13(20)11-14(10-12)25-18(22)17-15-8-3-4-9-16(15)21(19-17)26(2,23)24/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3
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| InChIKey |
APNSVTUVRDPGBR-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