General Information of the Compound
| Compound ID |
CP0879904
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| Compound Name |
(2S)-N-((R)-1-(4-(4-ethylbenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-aminopropanamide
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| Structure |
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| Formula |
C32H38N6O
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| Molecular Weight |
522.697
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| Canonical SMILES |
CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)N)=NNC2CCc2ccccc2)cc1
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| InChI |
InChI=1S/C32H38N6O/c1-3-23-13-15-25(16-14-23)21-38-30(18-17-24-9-5-4-6-10-24)36-37-31(38)29(35-32(39)22(2)33)19-26-20-34-28-12-8-7-11-27(26)28/h4-16,20,22,29-30,34,36H,3,17-19,21,33H2,1-2H3,(H,35,39)/t22-,29-,30?/m1/s1
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| InChIKey |
OWODAMPWWKUVRG-TVLARAQISA-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