General Information of the Compound
| Compound ID |
CP0442019
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| Compound Name |
US8987445, 175
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| Structure |
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| Formula |
C27H23FN2O4S
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| Molecular Weight |
490.556
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1cc2CCCc2c(F)c1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C27H23FN2O4S/c1-17-23-7-3-2-5-21(23)15-29-26(17)30(16-18-13-20-6-4-8-24(20)25(28)14-18)35(33,34)22-11-9-19(10-12-22)27(31)32/h2-3,5,7,9-15H,4,6,8,16H2,1H3,(H,31,32)
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| InChIKey |
JIDVNEPLKJVKQM-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