General Information of the Compound
| Compound ID |
CP0424803
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| Compound Name |
2-[(1S)-5-{3-[(3-methyl-7-propyl-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 |
C25H29NO5
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| Molecular Weight |
423.509
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| Canonical SMILES |
CCCc1c(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)ccc2c(C)noc12
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| InChI |
InChI=1S/C25H29NO5/c1-3-5-22-23(11-10-20-16(2)26-31-25(20)22)30-13-4-12-29-19-8-9-21-17(14-19)6-7-18(21)15-24(27)28/h8-11,14,18H,3-7,12-13,15H2,1-2H3,(H,27,28)/t18-/m0/s1
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| InChIKey |
NUTUSSDZMGFKKF-SFHVURJKSA-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