General Information of the Compound
| Compound ID |
CP0915685
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| Compound Name |
SID103059968
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| Structure |
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| Formula |
C18H20N2O4S
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| Molecular Weight |
360.435
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| Canonical SMILES |
CCCn1c(C)cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1C
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| InChI |
InChI=1S/C18H20N2O4S/c1-4-9-19-12(2)10-15(13(19)3)16(21)11-20-18(22)14-7-5-6-8-17(14)25(20,23)24/h5-8,10H,4,9,11H2,1-3H3
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| InChIKey |
SMSMVSXPHNZVRC-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