General Information of the Compound
| Compound ID |
CP0925784
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| Compound Name |
SID99494907
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| Structure |
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| Formula |
C22H27N3O3S
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| Molecular Weight |
413.543
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| Canonical SMILES |
COc1ccc(-c2cc3nc(NCC4CCCCC4)n(C)c(=O)c3s2)cc1OC
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| InChI |
InChI=1S/C22H27N3O3S/c1-25-21(26)20-16(24-22(25)23-13-14-7-5-4-6-8-14)12-19(29-20)15-9-10-17(27-2)18(11-15)28-3/h9-12,14H,4-8,13H2,1-3H3,(H,23,24)
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| InChIKey |
IXYYDKXMNFDVNZ-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