General Information of the Compound
| Compound ID |
CP0882243
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| Compound Name |
3-(1H-Indol-3-yl)-2-[2-(2-1H-indol-2-yl-acetylamino)-propionylamino]-N-phenethyl-propionamide
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| Structure |
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| Formula |
C32H33N5O3
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| Molecular Weight |
535.648
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| Canonical SMILES |
C[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/C32H33N5O3/c1-21(35-30(38)19-25-17-23-11-5-7-13-27(23)36-25)31(39)37-29(18-24-20-34-28-14-8-6-12-26(24)28)32(40)33-16-15-22-9-3-2-4-10-22/h2-14,17,20-21,29,34,36H,15-16,18-19H2,1H3,(H,33,40)(H,35,38)(H,37,39)/t21-,29-/m0/s1
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| InChIKey |
ISILZFKHIMGFCX-LGGPFLRQSA-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