General Information of the Compound
| Compound ID |
CP0449111
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| Compound Name |
(R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)benzamide
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| Structure |
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| Formula |
C34H31N5O2
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| Molecular Weight |
541.655
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C34H31N5O2/c1-41-27-19-16-25(17-20-27)23-39-31(21-18-24-10-4-2-5-11-24)37-38-33(39)32(36-34(40)26-12-6-3-7-13-26)29-22-35-30-15-9-8-14-28(29)30/h2-17,19-20,22,32,35H,18,21,23H2,1H3,(H,36,40)/t32-/m1/s1
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| InChIKey |
QFLVWQPJEJUEPB-JGCGQSQUSA-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