General Information of the Compound
| Compound ID |
CP0459695
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| Compound Name |
US9969687, Compound 1
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| Structure |
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| Formula |
C23H21N3O4S
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| Molecular Weight |
435.505
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccc2C(=O)N(C(=O)c12)c1cccnc1
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| InChI |
InChI=1S/C23H21N3O4S/c1-23(2,3)15-9-11-17(12-10-15)31(29,30)25-19-8-4-7-18-20(19)22(28)26(21(18)27)16-6-5-13-24-14-16/h4-14,25H,1-3H3
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| InChIKey |
OGJSNZSJOJMCBV-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