General Information of the Compound
| Compound ID |
CP0509011
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| Compound Name |
US8987445, 132
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| Structure |
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| Formula |
C28H22F4N2O4S
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| Molecular Weight |
558.553
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| Canonical SMILES |
Cc1c(nc(C2CC2)c2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C28H22F4N2O4S/c1-16-21-4-2-3-5-22(21)25(18-7-8-18)33-26(16)34(15-17-6-13-24(29)23(14-17)28(30,31)32)39(37,38)20-11-9-19(10-12-20)27(35)36/h2-6,9-14,18H,7-8,15H2,1H3,(H,35,36)
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| InChIKey |
CVEXQOZFFATKCE-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