General Information of the Compound
| Compound ID |
CP0409994
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| Compound Name |
2-(8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(2-(methylsulfonamido)ethyl)acetamide
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| Structure |
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| Formula |
C29H39N5O5S
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| Molecular Weight |
569.728
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)NCCNS(C)(=O)=O)C2=O)c1ccccc1
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| InChI |
InChI=1S/C29H39N5O5S/c1-28(2,3)23-12-10-22(11-13-23)26(36)32-18-14-29(15-19-32)27(37)33(21-34(29)24-8-6-5-7-9-24)20-25(35)30-16-17-31-40(4,38)39/h5-13,31H,14-21H2,1-4H3,(H,30,35)
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| InChIKey |
FKSDEPSDAZPAQK-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