General Information of the Compound
| Compound ID |
CP0563209
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| Compound Name |
US9169240, 18
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| Structure |
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| Formula |
C26H25FN4O4S
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| Molecular Weight |
508.575
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H25FN4O4S/c1-26(2,3)35-25(33)31-12-10-16(11-13-31)22-29-30-23(34-22)21(32)24-28-19-9-6-17(14-20(19)36-24)15-4-7-18(27)8-5-15/h4-9,14,16H,10-13H2,1-3H3
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| InChIKey |
CDBLPWFJZPKDAS-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