General Information of the Compound
| Compound ID |
CP0405436
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| Compound Name |
US10239843, Example 193
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| Structure |
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| Formula |
C18H20N4O4S
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| Molecular Weight |
388.449
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| Canonical SMILES |
CC1(CC1)NS(=O)(=O)c1ccc2n(CC3CC3)c(=O)n(CC#N)c(=O)c2c1
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| InChI |
InChI=1S/C18H20N4O4S/c1-18(6-7-18)20-27(25,26)13-4-5-15-14(10-13)16(23)21(9-8-19)17(24)22(15)11-12-2-3-12/h4-5,10,12,20H,2-3,6-7,9,11H2,1H3
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| InChIKey |
ZTTOLYZHBSVAED-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