General Information of the Compound
| Compound ID |
CP0405544
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| Compound Name |
(3S)-3-[4-[[(3S)-6-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C24H25NO6
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| Molecular Weight |
423.465
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)C(=O)N(C)C)cc1
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| InChI |
InChI=1S/C24H25NO6/c1-4-5-17(13-23(26)27)16-6-9-19(10-7-16)29-14-20-15-30-21-11-8-18(12-22(21)31-20)24(28)25(2)3/h6-12,17,20H,13-15H2,1-3H3,(H,26,27)/t17-,20-/m0/s1
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| InChIKey |
NJWAAAVSAMHVIU-PXNSSMCTSA-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