General Information of the Compound
| Compound ID |
CP0462505
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| Compound Name |
(R)-N-((4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C33H31N7O3
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| Molecular Weight |
573.657
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)c(OC)c1
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| InChI |
InChI=1S/C33H31N7O3/c1-42-24-14-13-23(29(18-24)43-2)21-40-30(15-12-22-8-4-3-5-9-22)38-39-32(40)31(37-33(41)28-20-34-16-17-35-28)26-19-36-27-11-7-6-10-25(26)27/h3-11,13-14,16-20,31,36H,12,15,21H2,1-2H3,(H,37,41)/t31-/m1/s1
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| InChIKey |
JYRYYCUMPHRVAO-WJOKGBTCSA-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