General Information of the Compound
| Compound ID |
CP0430040
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| Compound Name |
3-(4-{1-[(tert-butoxy)carbonyl]-1H-indol-2-yl}phenyl)propanoic acid
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| Structure |
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| Formula |
C22H23NO4
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| Molecular Weight |
365.429
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| Canonical SMILES |
CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C22H23NO4/c1-22(2,3)27-21(26)23-18-7-5-4-6-17(18)14-19(23)16-11-8-15(9-12-16)10-13-20(24)25/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,25)
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| InChIKey |
MKCFFUAMLVRSKU-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