General Information of the Compound
| Compound ID |
CP0885444
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| Compound Name |
2-(2-Amino-3-phenyl-propionylamino)-pentanedioic acid 5-amide 1-{[2-(1H-indol-3-yl)-1-phenethylcarbamoyl-ethyl]-amide}
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| Structure |
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| Formula |
C33H38N6O4
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| Molecular Weight |
582.705
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| Canonical SMILES |
NC(=O)CC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C33H38N6O4/c34-26(19-23-11-5-2-6-12-23)31(41)38-28(15-16-30(35)40)33(43)39-29(20-24-21-37-27-14-8-7-13-25(24)27)32(42)36-18-17-22-9-3-1-4-10-22/h1-14,21,26,28-29,37H,15-20,34H2,(H2,35,40)(H,36,42)(H,38,41)(H,39,43)/t26-,28+,29+/m1/s1
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| InChIKey |
FLGOZEKGMQXOOG-FGUUHEIUSA-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