General Information of the Compound
| Compound ID |
CP0380501
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| Compound Name |
US10047103, 4
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| Structure |
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| Formula |
C24H18N4O4S2
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| Molecular Weight |
490.566
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(cs3)-c3ccccc3)cc(OC)cc2o1
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| InChI |
InChI=1S/C24H18N4O4S2/c1-29-15-8-19(31-12-22-25-18(13-33-22)14-6-4-3-5-7-14)16-10-21(32-20(16)9-15)17-11-28-23(26-17)34-24(27-28)30-2/h3-11,13H,12H2,1-2H3
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| InChIKey |
WMFQRGDWGQYTJQ-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