General Information of the Compound
| Compound ID |
CP0433982
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| Compound Name |
(3S)-3-[4-[[(3S)-6-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C27H24O5
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| Molecular Weight |
428.484
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C27H24O5/c1-2-6-21(16-27(28)29)20-9-12-23(13-10-20)30-17-24-18-31-25-14-11-22(15-26(25)32-24)19-7-4-3-5-8-19/h3-5,7-15,21,24H,16-18H2,1H3,(H,28,29)/t21-,24-/m0/s1
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| InChIKey |
YGNKLZIJYIQVSH-URXFXBBRSA-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