General Information of the Compound
| Compound ID |
CP0946376
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| Compound Name |
(2R)-Methyl 2-[(2'S)-3-(1H-indol-3-yl)-2-(3-methylbutanamido)propanamido]-3-phenylpropanoate
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| Structure |
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| Formula |
C26H31N3O4
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| Molecular Weight |
449.551
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| Canonical SMILES |
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C
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| InChI |
InChI=1S/C26H31N3O4/c1-17(2)13-24(30)28-22(15-19-16-27-21-12-8-7-11-20(19)21)25(31)29-23(26(32)33-3)14-18-9-5-4-6-10-18/h4-12,16-17,22-23,27H,13-15H2,1-3H3,(H,28,30)(H,29,31)/t22-,23+/m0/s1
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| InChIKey |
JUZUEPSGONCUDA-XZOQPEGZSA-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