General Information of the Compound
| Compound ID |
CP0847373
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| Compound Name |
2-[3-(4-Chloro-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 |
C33H36ClN5O4
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| Molecular Weight |
602.135
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| Canonical SMILES |
NC(=O)CC[C@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C33H36ClN5O4/c34-25-13-10-23(11-14-25)12-17-31(41)38-28(15-16-30(35)40)33(43)39-29(20-24-21-37-27-9-5-4-8-26(24)27)32(42)36-19-18-22-6-2-1-3-7-22/h1-11,13-14,21,28-29,37H,12,15-20H2,(H2,35,40)(H,36,42)(H,38,41)(H,39,43)/t28-,29-/m0/s1
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| InChIKey |
SSTIHFNVSCKGDZ-VMPREFPWSA-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