General Information of the Compound
| Compound ID |
CP0501030
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| Compound Name |
US10047103, 189
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| Structure |
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| Formula |
C24H17ClN4O3S2
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| Molecular Weight |
509.012
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3cccc(C)c3)cc(Cl)cc2o1
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| InChI |
InChI=1S/C24H17ClN4O3S2/c1-13-4-3-5-14(6-13)22-26-16(12-33-22)11-31-19-7-15(25)8-20-17(19)9-21(32-20)18-10-29-23(27-18)34-24(28-29)30-2/h3-10,12H,11H2,1-2H3
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| InChIKey |
QSQYPLYCWVKQIR-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