General Information of the Compound
| Compound ID |
CP0361257
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| Compound Name |
N-[4-[1-(2-azaspiro[3.3]heptan-2-yl)-2-methyl-1-oxopropan-2-yl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C26H32N2O4S
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| Molecular Weight |
468.619
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N2CC3(CCC3)C2)cc1
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| InChI |
InChI=1S/C26H32N2O4S/c1-4-33(31,32)22-12-6-19(7-13-22)16-23(29)27-21-10-8-20(9-11-21)25(2,3)24(30)28-17-26(18-28)14-5-15-26/h6-13H,4-5,14-18H2,1-3H3,(H,27,29)
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| InChIKey |
SLDVOINBPKMOPL-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