General Information of the Compound
| Compound ID |
CP0448017
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| Compound Name |
2-[2-(4-Chloro-benzylamino)-acetylamino]-3-(1H-indol-3-yl)-N-phenethyl-propionamide
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| Structure |
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| Formula |
C28H29ClN4O2
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| Molecular Weight |
489.019
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| Canonical SMILES |
Clc1ccc(CNCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCc2ccccc2)cc1
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| InChI |
InChI=1S/C28H29ClN4O2/c29-23-12-10-21(11-13-23)17-30-19-27(34)33-26(16-22-18-32-25-9-5-4-8-24(22)25)28(35)31-15-14-20-6-2-1-3-7-20/h1-13,18,26,30,32H,14-17,19H2,(H,31,35)(H,33,34)
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| InChIKey |
OQMVEWCTQRVEHK-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