General Information of the Compound
| Compound ID |
CP0478194
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| Compound Name |
US9169240, 15
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| Structure |
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| Formula |
C28H29FN4O4S
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| Molecular Weight |
536.629
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C28H29FN4O4S/c1-28(2,3)37-27(35)33-14-12-17(13-15-33)4-11-23-31-32-25(36-23)24(34)26-30-21-10-7-19(16-22(21)38-26)18-5-8-20(29)9-6-18/h5-10,16-17H,4,11-15H2,1-3H3
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| InChIKey |
DHUGKPPXNKMZGN-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