General Information of the Compound
| Compound ID |
CP0256961
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| Compound Name |
2-[(1S)-5-[3-(4-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}-2-propylphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C29H33NO4S
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| Molecular Weight |
491.653
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| Canonical SMILES |
CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2CCCc2s1
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| InChI |
InChI=1S/C29H33NO4S/c1-2-5-21-16-22(29-30-25-6-3-7-27(25)35-29)10-13-26(21)34-15-4-14-33-23-11-12-24-19(17-23)8-9-20(24)18-28(31)32/h10-13,16-17,20H,2-9,14-15,18H2,1H3,(H,31,32)/t20-/m0/s1
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| InChIKey |
FQTHEIJACHCXRP-FQEVSTJZSA-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