General Information of the Compound
| Compound ID |
CP0885999
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| Compound Name |
2-(2-1H-Indol-2-yl-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 |
C34H36N6O4
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| Molecular Weight |
592.7
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| Canonical SMILES |
NC(=O)CC[C@H](NC(=O)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C34H36N6O4/c35-31(41)15-14-29(39-32(42)20-25-18-23-10-4-6-12-27(23)38-25)34(44)40-30(19-24-21-37-28-13-7-5-11-26(24)28)33(43)36-17-16-22-8-2-1-3-9-22/h1-13,18,21,29-30,37-38H,14-17,19-20H2,(H2,35,41)(H,36,43)(H,39,42)(H,40,44)/t29-,30-/m0/s1
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| InChIKey |
JRPZUJBBTQFMSA-KYJUHHDHSA-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