General Information of the Compound
| Compound ID |
CP0393028
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| Compound Name |
(R)-N-((4-(4-ethylbenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)-2-(pyridin-2-yl)acetamide
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| Structure |
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| Formula |
C35H34N6O
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| Molecular Weight |
554.698
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| Canonical SMILES |
CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C35H34N6O/c1-2-25-15-17-27(18-16-25)24-41-32(20-19-26-10-4-3-5-11-26)39-40-35(41)34(30-23-37-31-14-7-6-13-29(30)31)38-33(42)22-28-12-8-9-21-36-28/h3-18,21,23,34,37H,2,19-20,22,24H2,1H3,(H,38,42)/t34-/m1/s1
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| InChIKey |
QOEPYDKDFFRKHQ-UUWRZZSWSA-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