General Information of the Compound
| Compound ID |
CP0451364
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| Compound Name |
US9434711, 732
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| Structure |
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| Formula |
C23H18BrNO3S2
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| Molecular Weight |
500.439
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| Canonical SMILES |
CC(=O)c1c(sc2ccccc12)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C23H18BrNO3S2/c1-16(26)22-20-9-5-6-10-21(20)29-23(22)25(15-17-7-3-2-4-8-17)30(27,28)19-13-11-18(24)12-14-19/h2-14H,15H2,1H3
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| InChIKey |
ZVMSOURGYQVKKI-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