General Information of the Compound
| Compound ID |
CP0367144
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| Compound Name |
2-[(1S)-5-[3-(4-cyano-2-propylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C24H27NO4
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| Molecular Weight |
393.483
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| Canonical SMILES |
CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)C#N
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| InChI |
InChI=1S/C24H27NO4/c1-2-4-20-13-17(16-25)5-10-23(20)29-12-3-11-28-21-8-9-22-18(14-21)6-7-19(22)15-24(26)27/h5,8-10,13-14,19H,2-4,6-7,11-12,15H2,1H3,(H,26,27)/t19-/m0/s1
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| InChIKey |
NBCYDSVKELDZHZ-IBGZPJMESA-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