General Information of the Compound
| Compound ID |
CP0479336
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| Compound Name |
US9133168, Example 17d
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| Structure |
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| Formula |
C24H32N6O5S
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| Molecular Weight |
516.624
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| Canonical SMILES |
CS(=O)(=O)N1CCN(Cc2cccc3N(CCc23)C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)CC1
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| InChI |
InChI=1S/C24H32N6O5S/c1-36(33,34)29-9-7-27(8-10-29)17-18-3-2-4-20-19(18)5-6-30(20)24(32)15-21-25-22(16-23(31)26-21)28-11-13-35-14-12-28/h2-4,16H,5-15,17H2,1H3,(H,25,26,31)
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| InChIKey |
GUMAPEYOJRCTRM-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