General Information of the Compound
| Compound ID |
CP0457704
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| Compound Name |
(R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)picolinamide
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| Structure |
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| Formula |
C36H33N7O2
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| Molecular Weight |
595.707
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1
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| InChI |
InChI=1S/C36H33N7O2/c1-45-27-16-13-24(14-17-27)23-43-34(18-15-25-21-38-30-10-4-2-8-28(25)30)41-42-35(43)33(40-36(44)32-12-6-7-19-37-32)20-26-22-39-31-11-5-3-9-29(26)31/h2-14,16-17,19,21-22,33,38-39H,15,18,20,23H2,1H3,(H,40,44)/t33-/m1/s1
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| InChIKey |
IGKUMQFCTUJDCR-MGBGTMOVSA-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