General Information of the Compound
| Compound ID |
CP0285940
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| Compound Name |
(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionic acid 3,5-dimethyl-benzyl ester
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| Structure |
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| Formula |
C25H30N2O4
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| Molecular Weight |
422.525
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| Canonical SMILES |
Cc1cc(C)cc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1
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| InChI |
InChI=1S/C25H30N2O4/c1-16-10-17(2)12-18(11-16)15-30-23(28)22(27-24(29)31-25(3,4)5)13-19-14-26-21-9-7-6-8-20(19)21/h6-12,14,22,26H,13,15H2,1-5H3,(H,27,29)/t22-/m0/s1
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| InChIKey |
LCSNDNCRMYQLCV-QFIPXVFZSA-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