General Information of the Compound
| Compound ID |
CP0448521
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| Compound Name |
2-(2-Benzylamino-acetylamino)-3-(1H-indol-3-yl)-N-phenethyl-propionamide
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| Structure |
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| Formula |
C28H30N4O2
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| Molecular Weight |
454.574
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| Canonical SMILES |
O=C(CNCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C28H30N4O2/c33-27(20-29-18-22-11-5-2-6-12-22)32-26(17-23-19-31-25-14-8-7-13-24(23)25)28(34)30-16-15-21-9-3-1-4-10-21/h1-14,19,26,29,31H,15-18,20H2,(H,30,34)(H,32,33)
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| InChIKey |
MVLSQEIQTWLALY-UHFFFAOYSA-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