General Information of the Compound
| Compound ID |
CP0569169
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| Compound Name |
US11247971, Cmpd ID 336
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| Formula |
C29H29FN4O5S2
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| Molecular Weight |
596.706
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2-c2cccc(OC3CCCC3)c2)-c2nc(cs2)C(O)=O)cc1F
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| InChI |
InChI=1S/C29H29FN4O5S2/c30-23-13-18(10-11-26(23)41(31,37)38)12-22-25(14-17-8-9-17)34(29-32-24(16-40-29)28(35)36)33-27(22)19-4-3-7-21(15-19)39-20-5-1-2-6-20/h3-4,7,10-11,13,15-17,20H,1-2,5-6,8-9,12,14H2,(H,35,36)(H2,31,37,38)
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| InChIKey |
IHBBNGMPEIMZHM-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