General Information of the Compound
| Compound ID |
CP0569556
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| Compound Name |
methyl 4-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]carbamoyloxymethyl]benzoate
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| Structure |
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| Formula |
C30H31N3O5
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| Molecular Weight |
513.594
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| Canonical SMILES |
COC(=O)c1ccc(COC(=O)N[C@](C)(Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)c2ccccc2)cc1
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| InChI |
InChI=1S/C30H31N3O5/c1-20(22-9-5-4-6-10-22)32-28(35)30(2,17-24-18-31-26-12-8-7-11-25(24)26)33-29(36)38-19-21-13-15-23(16-14-21)27(34)37-3/h4-16,18,20,31H,17,19H2,1-3H3,(H,32,35)(H,33,36)/t20-,30+/m0/s1
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| InChIKey |
OYVUMDLWECZFFM-WENCNXQZSA-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