General Information of the Compound
| Compound ID |
CP0511788
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| Compound Name |
2-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl-methylamino]-4-hydroxy-1-morpholin-4-ylbutan-1-one
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| Formula |
C23H32N2O3S2
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| Molecular Weight |
448.654
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| Canonical SMILES |
CN(CCC=C(c1sccc1C)c1sccc1C)C(CCO)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C23H32N2O3S2/c1-17-7-15-29-21(17)19(22-18(2)8-16-30-22)5-4-9-24(3)20(6-12-26)23(27)25-10-13-28-14-11-25/h5,7-8,15-16,20,26H,4,6,9-14H2,1-3H3
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| InChIKey |
GYGJFSPUYSUFIT-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