General Information of the Compound
| Compound ID |
CP0486879
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| Compound Name |
2-[(1S)-5-{3-[(4-propyl-1H-indol-5-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C25H29NO4
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| Molecular Weight |
407.51
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| Canonical SMILES |
CCCc1c(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)ccc2[nH]ccc12
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| InChI |
InChI=1S/C25H29NO4/c1-2-4-22-21-11-12-26-23(21)9-10-24(22)30-14-3-13-29-19-7-8-20-17(15-19)5-6-18(20)16-25(27)28/h7-12,15,18,26H,2-6,13-14,16H2,1H3,(H,27,28)/t18-/m0/s1
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| InChIKey |
COMKHPFSTDCPRN-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