General Information of the Compound
| Compound ID |
CP0323409
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| Compound Name |
2-[(1S)-5-[3-(4-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}-2-methoxyphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C27H29NO5S
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| Molecular Weight |
479.598
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| Canonical SMILES |
COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2CCCc2s1
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| InChI |
InChI=1S/C27H29NO5S/c1-31-24-15-19(27-28-22-4-2-5-25(22)34-27)8-11-23(24)33-13-3-12-32-20-9-10-21-17(14-20)6-7-18(21)16-26(29)30/h8-11,14-15,18H,2-7,12-13,16H2,1H3,(H,29,30)/t18-/m0/s1
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| InChIKey |
IELCDGLGXNKKIF-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