General Information of the Compound
| Compound ID |
CP0559936
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| Compound Name |
3-[(3S)-1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
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| Structure |
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| Formula |
C22H32N2O3S
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| Molecular Weight |
404.576
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| Canonical SMILES |
CC(C)(O)C#Cc1ccc(CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)s1
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| InChI |
InChI=1S/C22H32N2O3S/c1-22(2,26)10-9-19-6-7-20(28-19)17-23-11-3-4-18(16-23)5-8-21(25)24-12-14-27-15-13-24/h6-7,18,26H,3-5,8,11-17H2,1-2H3/t18-/m0/s1
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| InChIKey |
PKJPRVVIATWBDB-SFHVURJKSA-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