General Information of the Compound
| Compound ID |
CP0556990
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| Compound Name |
US9067935, 102
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| Structure |
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| Formula |
C25H18ClF4N5O2S
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| Molecular Weight |
563.964
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| Canonical SMILES |
Cc1c(nc2ccc(Cl)cn12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)-n1cccn1
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| InChI |
InChI=1S/C25H18ClF4N5O2S/c1-16-24(32-23-10-4-18(26)15-33(16)23)35(14-17-3-9-22(27)21(13-17)25(28,29)30)38(36,37)20-7-5-19(6-8-20)34-12-2-11-31-34/h2-13,15H,14H2,1H3
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| InChIKey |
RNLDOHKAGLROIQ-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