General Information of the Compound
| Compound ID |
CP0717529
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| Compound Name |
[(1S)-5-{3-[4-(6,7-dihydro-5H-pyrano[2,3-d]1,3thiazol-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(C2=NC3OCCCC3S2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O
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| InChI |
InChI=1S/C29H35NO5S/c1-2-5-21-16-22(29-30-28-26(36-29)6-3-13-35-28)9-12-25(21)34-15-4-14-33-23-10-11-24-19(17-23)7-8-20(24)18-27(31)32/h9-12,16-17,20,26,28H,2-8,13-15,18H2,1H3,(H,31,32)/t20-,26?,28?/m0/s1
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| InChIKey |
VIVBCFKGUVZCLT-LRDJCYRESA-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
Protein ID: PT00894, Androgen receptor
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT02973, Peroxisome proliferator-activated receptor gamma
Protein ID: PT01172, Progesterone receptor