General Information of the Compound
| Compound ID |
CP0850992
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| Compound Name |
(R)-N-(2-(1H-indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethyl)-6-methoxypicolinamide
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| Structure |
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| Formula |
C35H34N6O3
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| Molecular Weight |
586.696
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(OC)n2)cc1
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| InChI |
InChI=1S/C35H34N6O3/c1-43-27-18-15-25(16-19-27)23-41-32(20-17-24-9-4-3-5-10-24)39-40-34(41)31(21-26-22-36-29-12-7-6-11-28(26)29)38-35(42)30-13-8-14-33(37-30)44-2/h3-16,18-19,22,31,36H,17,20-21,23H2,1-2H3,(H,38,42)/t31-/m1/s1
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| InChIKey |
WCEXPLPFTFQKQS-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