General Information of the Compound
| Compound ID |
CP0385194
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| Compound Name |
(3S)-3-[4-[[3-[(thiophen-3-ylmethylamino)methyl]phenyl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C25H25NO3S
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| Molecular Weight |
419.546
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(CNCc3ccsc3)c2)cc1
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| InChI |
InChI=1S/C25H25NO3S/c1-2-4-23(14-25(27)28)22-7-9-24(10-8-22)29-17-20-6-3-5-19(13-20)15-26-16-21-11-12-30-18-21/h3,5-13,18,23,26H,14-17H2,1H3,(H,27,28)/t23-/m0/s1
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| InChIKey |
FYRHESFAFIUCSB-QHCPKHFHSA-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