General Information of the Compound
| Compound ID |
CP0206279
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| Compound Name |
2-[(1S)-5-(3-{4-[4-(propan-2-yloxy)-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 |
C29H35NO5S
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| Molecular Weight |
509.668
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| Canonical SMILES |
CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OC(C)C)cs1
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| InChI |
InChI=1S/C29H35NO5S/c1-4-6-22-15-23(29-30-27(18-36-29)35-19(2)3)9-12-26(22)34-14-5-13-33-24-10-11-25-20(16-24)7-8-21(25)17-28(31)32/h9-12,15-16,18-19,21H,4-8,13-14,17H2,1-3H3,(H,31,32)/t21-/m0/s1
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| InChIKey |
DABDLIFECGXQNC-NRFANRHFSA-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