General Information of the Compound
| Compound ID |
CP0885728
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| Compound Name |
2-[2-(4-Chloro-phenyl)-acetylamino]-pentanedioic acid 5-amide 1-{[2-(1H-indol-3-yl)-1-phenethylcarbamoyl-ethyl]-amide}
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| Structure |
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| Formula |
C32H34ClN5O4
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| Molecular Weight |
588.108
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| Canonical SMILES |
NC(=O)CC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C32H34ClN5O4/c33-24-12-10-22(11-13-24)18-30(40)37-27(14-15-29(34)39)32(42)38-28(19-23-20-36-26-9-5-4-8-25(23)26)31(41)35-17-16-21-6-2-1-3-7-21/h1-13,20,27-28,36H,14-19H2,(H2,34,39)(H,35,41)(H,37,40)(H,38,42)/t27-,28-/m0/s1
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| InChIKey |
QXYSJPMGIVOYKS-NSOVKSMOSA-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
Protein ID: PT01996, Bombesin receptor subtype-3
Protein ID: PT02814, Gastrin-releasing peptide receptor
Protein ID: PT02963, Neuromedin-B receptor