General Information of the Compound
| Compound ID |
CP0524386
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| Compound Name |
3-[4,6-Dimethyl-7-(2,2-dimethylpropanamido)-1-octylindolin-3-yl]propionic Acid
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| Structure |
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| Formula |
C26H42N2O3
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| Molecular Weight |
430.633
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| Canonical SMILES |
CCCCCCCCN1CC(CCC(O)=O)c2c1c(NC(=O)C(C)(C)C)c(C)cc2C
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| InChI |
InChI=1S/C26H42N2O3/c1-7-8-9-10-11-12-15-28-17-20(13-14-21(29)30)22-18(2)16-19(3)23(24(22)28)27-25(31)26(4,5)6/h16,20H,7-15,17H2,1-6H3,(H,27,31)(H,29,30)
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| InChIKey |
MTACVFYPFSKHEH-UHFFFAOYSA-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