General Information of the Compound
| Compound ID |
CP0463390
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| Compound Name |
US9067935, 104
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| Structure |
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| Formula |
C25H19ClF3N5O3S
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| Molecular Weight |
561.973
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| Canonical SMILES |
Cc1c(nc2ccc(Cl)cn12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)-n1cccn1
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| InChI |
InChI=1S/C25H19ClF3N5O3S/c1-17-24(31-23-12-5-19(26)16-32(17)23)34(15-18-3-8-21(9-4-18)37-25(27,28)29)38(35,36)22-10-6-20(7-11-22)33-14-2-13-30-33/h2-14,16H,15H2,1H3
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| InChIKey |
YRMXCJOQQFYYHU-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