General Information of the Compound
| Compound ID |
CP0182996
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| Compound Name |
2-[(1S)-5-(3-{4-[5-(dimethylcarbamoyl)-4-methyl-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 |
C30H36N2O5S
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| Molecular Weight |
536.694
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| Canonical SMILES |
CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(=O)N(C)C
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| InChI |
InChI=1S/C30H36N2O5S/c1-5-7-22-16-23(29-31-19(2)28(38-29)30(35)32(3)4)10-13-26(22)37-15-6-14-36-24-11-12-25-20(17-24)8-9-21(25)18-27(33)34/h10-13,16-17,21H,5-9,14-15,18H2,1-4H3,(H,33,34)/t21-/m0/s1
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| InChIKey |
BOIFMTPHEQFLJE-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