General Information of the Compound
| Compound ID |
CP0484070
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| Compound Name |
US9340555, 33
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| Structure |
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| Formula |
C29H29F2N5O5S
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| Molecular Weight |
597.644
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(sc34)C(=O)NCCNC(=O)OC(C)(C)C)cc2F)c1
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| InChI |
InChI=1S/C29H29F2N5O5S/c1-16-5-7-18(30)21(13-16)36-27(38)35-20-8-6-17(14-19(20)31)40-23-9-10-32-22-15-24(42-25(22)23)26(37)33-11-12-34-28(39)41-29(2,3)4/h5-10,13-15H,11-12H2,1-4H3,(H,33,37)(H,34,39)(H2,35,36,38)
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| InChIKey |
JGYABNPXEFYTRC-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