General Information of the Compound
| Compound ID |
CP0539391
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| Compound Name |
US10047103, 126
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| Structure |
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| Formula |
C26H26N4O7S2
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| Molecular Weight |
570.649
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(O)CCC4(CC3)OCCO4)cc(OC)cc2o1
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| InChI |
InChI=1S/C26H26N4O7S2/c1-32-16-9-19(17-11-21(37-20(17)10-16)18-12-30-23(28-18)39-24(29-30)33-2)34-13-15-14-38-22(27-15)25(31)3-5-26(6-4-25)35-7-8-36-26/h9-12,14,31H,3-8,13H2,1-2H3
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| InChIKey |
SMSISCIMPYBOQW-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