General Information of the Compound
| Compound ID |
CP0299596
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| Compound Name |
(S)-2-Benzoylamino-3-(1H-indol-3-yl)-propionic acid 3,5-dimethyl-benzyl ester
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| Structure |
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| Formula |
C27H26N2O3
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| Molecular Weight |
426.516
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| Canonical SMILES |
Cc1cc(C)cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C27H26N2O3/c1-18-12-19(2)14-20(13-18)17-32-27(31)25(29-26(30)21-8-4-3-5-9-21)15-22-16-28-24-11-7-6-10-23(22)24/h3-14,16,25,28H,15,17H2,1-2H3,(H,29,30)/t25-/m0/s1
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| InChIKey |
BKFSYSKVGGJRTB-VWLOTQADSA-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