General Information of the Compound
| Compound ID |
CP0485678
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| Compound Name |
2-[(1S)-5-{3-[(3,7-dimethyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C23H25NO5
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| Molecular Weight |
395.455
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| Canonical SMILES |
Cc1noc2c(C)c(OCCCOc3ccc4[C@H](CC(O)=O)CCc4c3)ccc12
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| InChI |
InChI=1S/C23H25NO5/c1-14-21(9-8-19-15(2)24-29-23(14)19)28-11-3-10-27-18-6-7-20-16(12-18)4-5-17(20)13-22(25)26/h6-9,12,17H,3-5,10-11,13H2,1-2H3,(H,25,26)/t17-/m0/s1
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| InChIKey |
GYLMBHYEEPSETC-KRWDZBQOSA-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