General Information of the Compound
| Compound ID |
CP0532833
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| Compound Name |
(3S)-3-[4-[[(3S)-6-pyridin-3-yl-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C26H23NO5
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| Molecular Weight |
429.472
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)-c2cccnc2)cc1
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| InChI |
InChI=1S/C26H23NO5/c1-2-4-19(14-26(28)29)18-6-9-22(10-7-18)30-16-23-17-31-24-11-8-20(13-25(24)32-23)21-5-3-12-27-15-21/h3,5-13,15,19,23H,14,16-17H2,1H3,(H,28,29)/t19-,23-/m0/s1
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| InChIKey |
SAFFALVHMVVWEJ-CVDCTZTESA-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