General Information of the Compound
| Compound ID |
CP0500632
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| Compound Name |
2-[(3S,8S)-3-[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]-2,3,7,8-tetrahydrofuro[2,3-g][1,4]benzodioxin-8-yl]acetic acid
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| Structure |
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| Formula |
C30H32O8S
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| Molecular Weight |
552.645
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| Canonical SMILES |
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(c1)[C@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1
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| InChI |
InChI=1S/C30H32O8S/c1-18-10-23(35-8-5-9-39(3,33)34)11-19(2)30(18)21-7-4-6-20(12-21)28-17-37-26-14-24-22(13-29(31)32)16-36-25(24)15-27(26)38-28/h4,6-7,10-12,14-15,22,28H,5,8-9,13,16-17H2,1-3H3,(H,31,32)/t22-,28-/m1/s1
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| InChIKey |
JKYVMOIZUKBTDA-SKCUWOTOSA-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