General Information of the Compound
| Compound ID |
CP0517906
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| Compound Name |
US9181219, 24
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| Structure |
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| Formula |
C18H20N2OS
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| Molecular Weight |
312.438
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| Canonical SMILES |
Cc1ccc(SCC(=O)N2CCCc3cccc(C)c23)nc1
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| InChI |
InChI=1S/C18H20N2OS/c1-13-8-9-16(19-11-13)22-12-17(21)20-10-4-7-15-6-3-5-14(2)18(15)20/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3
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| InChIKey |
XEAZEDBBPZQLND-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