General Information of the Compound
| Compound ID |
CP0560159
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| Compound Name |
US9067935, 88
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| Structure |
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| Formula |
C26H20ClF4N5O2S
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| Molecular Weight |
577.991
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| Canonical SMILES |
CCc1c(nc2ccc(Cl)cn12)N(Cc1ccc(c(F)c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)-n1cccn1
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| InChI |
InChI=1S/C26H20ClF4N5O2S/c1-2-23-25(33-24-11-5-18(27)16-34(23)24)36(15-17-4-10-21(22(28)14-17)26(29,30)31)39(37,38)20-8-6-19(7-9-20)35-13-3-12-32-35/h3-14,16H,2,15H2,1H3
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| InChIKey |
OFASSXMBPWYZAW-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