General Information of the Compound
| Compound ID |
CP0465960
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| Compound Name |
US9434711, 714
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| Structure |
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| Formula |
C18H16ClF3N2O4S3
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| Molecular Weight |
512.984
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| Canonical SMILES |
CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)N(CCC(F)(F)F)c1sc2ccccc2c1Cl
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| InChI |
InChI=1S/C18H16ClF3N2O4S3/c1-30(25,26)23-12-5-4-6-13(11-12)31(27,28)24(10-9-18(20,21)22)17-16(19)14-7-2-3-8-15(14)29-17/h2-8,11,23H,9-10H2,1H3
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| InChIKey |
IYMJKZJAHKPQAJ-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