General Information of the Compound
| Compound ID |
CP0411903
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| Compound Name |
US10047103, 38
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| Structure |
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| Formula |
C27H24N4O5S2
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| Molecular Weight |
548.646
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(C)(C)O)cc(OC)cc2o1
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| InChI |
InChI=1S/C27H24N4O5S2/c1-27(2,32)16-7-5-15(6-8-16)24-28-17(14-37-24)13-35-21-9-18(33-3)10-22-19(21)11-23(36-22)20-12-31-25(29-20)38-26(30-31)34-4/h5-12,14,32H,13H2,1-4H3
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| InChIKey |
WILKSHHHRGQDLY-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