General Information of the Compound
| Compound ID |
CP0543857
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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-(5-(methylsulfonamido)pentyl)acetamide
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| Structure |
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| Formula |
C32H45N5O5S
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| Molecular Weight |
611.809
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)NCCCCCNS(C)(=O)=O)C2=O)c1ccccc1
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| InChI |
InChI=1S/C32H45N5O5S/c1-31(2,3)26-15-13-25(14-16-26)29(39)35-21-17-32(18-22-35)30(40)36(24-37(32)27-11-7-5-8-12-27)23-28(38)33-19-9-6-10-20-34-43(4,41)42/h5,7-8,11-16,34H,6,9-10,17-24H2,1-4H3,(H,33,38)
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| InChIKey |
PHBOHJHQTANSDR-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