General Information of the Compound
| Compound ID |
CP0573816
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| Compound Name |
US10047103, 177
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| Structure |
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| Formula |
C27H23N5O4S2
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| Molecular Weight |
545.646
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCC3)c3cccnc3)cc(OC)cc2o1
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| InChI |
InChI=1S/C27H23N5O4S2/c1-33-18-9-21(19-11-23(36-22(19)10-18)20-13-32-25(30-20)38-26(31-32)34-2)35-14-17-15-37-24(29-17)27(6-4-7-27)16-5-3-8-28-12-16/h3,5,8-13,15H,4,6-7,14H2,1-2H3
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| InChIKey |
WNNHUUAOFFMOEX-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