General Information of the Compound
| Compound ID |
CP0539310
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| Compound Name |
US10047103, 142
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| Structure |
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| Formula |
C26H28N4O5S2
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| Molecular Weight |
540.667
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C(C)(O)C3CCCCC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C26H28N4O5S2/c1-26(31,15-7-5-4-6-8-15)23-27-16(14-36-23)13-34-20-9-17(32-2)10-21-18(20)11-22(35-21)19-12-30-24(28-19)37-25(29-30)33-3/h9-12,14-15,31H,4-8,13H2,1-3H3
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| InChIKey |
MIBHZWHUVZWGME-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