General Information of the Compound
| Compound ID |
CP0511789
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| Compound Name |
2-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl-methylamino]-N-[(4-chlorophenyl)methyl]-4-hydroxypentanamide
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| Formula |
C27H33ClN2O2S2
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| Molecular Weight |
517.16
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| Canonical SMILES |
CC(O)CC(N(C)CCC=C(c1sccc1C)c1sccc1C)C(=O)NCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H33ClN2O2S2/c1-18-11-14-33-25(18)23(26-19(2)12-15-34-26)6-5-13-30(4)24(16-20(3)31)27(32)29-17-21-7-9-22(28)10-8-21/h6-12,14-15,20,24,31H,5,13,16-17H2,1-4H3,(H,29,32)
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| InChIKey |
WLGKWBVRCUZNJF-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