General Information of the Compound
| Compound ID |
CP0531791
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| Compound Name |
US9067935, 83
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| Structure |
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| Formula |
C23H22BrN5O3S
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| Molecular Weight |
528.432
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| Canonical SMILES |
Brc1c(nc2ccccn12)N(Cc1ccccc1)S(=O)(=O)c1ccc(nc1)N1CCOCC1
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| InChI |
InChI=1S/C23H22BrN5O3S/c24-22-23(26-21-8-4-5-11-28(21)22)29(17-18-6-2-1-3-7-18)33(30,31)19-9-10-20(25-16-19)27-12-14-32-15-13-27/h1-11,16H,12-15,17H2
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| InChIKey |
GSKVFEZGQUFORS-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