General Information of the Compound
| Compound ID |
CP0539385
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| Compound Name |
US10047103, 158
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| Structure |
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| Formula |
C30H28N4O6S2
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| Molecular Weight |
604.71
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C3(CCOCC3)c3cccc(OC)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C30H28N4O6S2/c1-35-20-6-4-5-18(11-20)30(7-9-38-10-8-30)27-31-19(17-41-27)16-39-24-12-21(36-2)13-25-22(24)14-26(40-25)23-15-34-28(32-23)42-29(33-34)37-3/h4-6,11-15,17H,7-10,16H2,1-3H3
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| InChIKey |
RIIJBJHFNGCQMR-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