General Information of the Compound
| Compound ID |
CP0104914
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| Compound Name |
2-[(1S)-5-[3-(3-methylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C21H24O4
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| Molecular Weight |
340.419
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| Canonical SMILES |
Cc1cccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c1
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| InChI |
InChI=1S/C21H24O4/c1-15-4-2-5-18(12-15)24-10-3-11-25-19-8-9-20-16(13-19)6-7-17(20)14-21(22)23/h2,4-5,8-9,12-13,17H,3,6-7,10-11,14H2,1H3,(H,22,23)/t17-/m0/s1
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| InChIKey |
NWTGXSVYKLAVJS-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