General Information of the Compound
| Compound ID |
CP0564107
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| Compound Name |
US9434711, 555
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| Structure |
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| Formula |
C24H18F4N2O4S2
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| Molecular Weight |
538.544
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(=O)NO
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| InChI |
InChI=1S/C24H18F4N2O4S2/c1-14-18-4-2-3-5-21(18)35-23(14)30(13-15-6-11-20(25)19(12-15)24(26,27)28)36(33,34)17-9-7-16(8-10-17)22(31)29-32/h2-12,32H,13H2,1H3,(H,29,31)
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| InChIKey |
HCMBTDBEVOYLGR-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