General Information of the Compound
| Compound ID |
CP0256962
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| Compound Name |
2-[(1S)-5-[3-(4-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}phenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C26H27NO4S
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| Molecular Weight |
449.572
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| Canonical SMILES |
OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3nc4CCCc4s3)ccc12
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| InChI |
InChI=1S/C26H27NO4S/c28-25(29)16-19-6-5-18-15-21(11-12-22(18)19)31-14-2-13-30-20-9-7-17(8-10-20)26-27-23-3-1-4-24(23)32-26/h7-12,15,19H,1-6,13-14,16H2,(H,28,29)/t19-/m0/s1
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| InChIKey |
ZPYXSSUHSIOZJR-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