General Information of the Compound
| Compound ID |
CP0556989
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| Compound Name |
US9067935, 89
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| Structure |
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| Formula |
C26H21ClF3N5O3S
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| Molecular Weight |
576
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| Canonical SMILES |
CCc1c(nc2ccc(Cl)cn12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)-n1cccn1
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| InChI |
InChI=1S/C26H21ClF3N5O3S/c1-2-23-25(32-24-13-6-19(27)17-33(23)24)35(16-18-4-9-21(10-5-18)38-26(28,29)30)39(36,37)22-11-7-20(8-12-22)34-15-3-14-31-34/h3-15,17H,2,16H2,1H3
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| InChIKey |
JYEZBCHXQUZUCO-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