General Information of the Compound
| Compound ID |
CP0558063
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| Compound Name |
(3S)-3-[4-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C26H27NO3S
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| Molecular Weight |
433.573
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CN(C)Cc3ccsc3)c2)cc1
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| InChI |
InChI=1S/C26H27NO3S/c1-3-5-24(15-26(28)29)23-8-10-25(11-9-23)30-18-21-7-4-6-20(14-21)16-27(2)17-22-12-13-31-19-22/h4,6-14,19,24H,15-18H2,1-2H3,(H,28,29)/t24-/m0/s1
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| InChIKey |
FMFKPENBJYTRTQ-DEOSSOPVSA-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