General Information of the Compound
| Compound ID |
CP0451368
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| Compound Name |
US9434711, 17
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| Structure |
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| Formula |
C23H18N2O2S3
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| Molecular Weight |
450.61
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1cccc2cccnc12)S(=O)(=O)c1ccsc1
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| InChI |
InChI=1S/C23H18N2O2S3/c1-16-20-9-2-3-10-21(20)29-23(16)25(30(26,27)19-11-13-28-15-19)14-18-7-4-6-17-8-5-12-24-22(17)18/h2-13,15H,14H2,1H3
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| InChIKey |
QQHGHODIAZKSCC-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