General Information of the Compound
| Compound ID |
CP0050847
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| Compound Name |
2-[(1S)-5-{3-[2-acetamido-4-(1H-1,2,3-triazol-1-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C24H26N4O5
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| Molecular Weight |
450.495
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| Canonical SMILES |
CC(=O)Nc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-n1ccnn1
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| InChI |
InChI=1S/C24H26N4O5/c1-16(29)26-22-15-19(28-10-9-25-27-28)5-8-23(22)33-12-2-11-32-20-6-7-21-17(13-20)3-4-18(21)14-24(30)31/h5-10,13,15,18H,2-4,11-12,14H2,1H3,(H,26,29)(H,30,31)/t18-/m0/s1
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| InChIKey |
YYSCULLHLGWVSS-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