General Information of the Compound
| Compound ID |
CP0531459
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| Compound Name |
US9120756, 127
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| Structure |
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| Formula |
C24H30FN5O3S
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| Molecular Weight |
487.601
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| Canonical SMILES |
CC(C(=O)NCc1cc(nn1-c1ccccn1)C(C)(C)C)c1ccc(CNS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H30FN5O3S/c1-16(17-9-10-18(20(25)12-17)14-28-34(5,32)33)23(31)27-15-19-13-21(24(2,3)4)29-30(19)22-8-6-7-11-26-22/h6-13,16,28H,14-15H2,1-5H3,(H,27,31)
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| InChIKey |
GAQKKXSOZACJEQ-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