General Information of the Compound
| Compound ID |
CP0050852
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| Compound Name |
2-[(1S)-5-{3-[2-propyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C30H35NO4S
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| Molecular Weight |
505.68
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| Canonical SMILES |
CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2CCCCc2s1
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| InChI |
InChI=1S/C30H35NO4S/c1-2-6-22-17-23(30-31-26-7-3-4-8-28(26)36-30)11-14-27(22)35-16-5-15-34-24-12-13-25-20(18-24)9-10-21(25)19-29(32)33/h11-14,17-18,21H,2-10,15-16,19H2,1H3,(H,32,33)/t21-/m0/s1
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| InChIKey |
IAFVOFFJCUHEHP-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
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