General Information of the Compound
| Compound ID |
CP0877433
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| Compound Name |
N-((R)-1-(4-(2,4-dimethoxybenzyl)-5-phenethyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)piperazine-2-carboxamide
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| Structure |
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| Formula |
C34H41N7O3
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| Molecular Weight |
595.748
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| Canonical SMILES |
COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CNCCN3)=NNC2CCc2ccccc2)c(OC)c1
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| InChI |
InChI=1S/C34H41N7O3/c1-43-26-14-13-24(31(19-26)44-2)22-41-32(15-12-23-8-4-3-5-9-23)39-40-33(41)29(38-34(42)30-21-35-16-17-36-30)18-25-20-37-28-11-7-6-10-27(25)28/h3-11,13-14,19-20,29-30,32,35-37,39H,12,15-18,21-22H2,1-2H3,(H,38,42)/t29-,30?,32?/m1/s1
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| InChIKey |
JUWUBTRCLVHZON-XKJZOZQUSA-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