General Information of the Compound
| Compound ID |
CP0906078
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| Compound Name |
N-((R)-1-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-aminoacetamide
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| Structure |
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| Formula |
C32H33N7O2
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| Molecular Weight |
547.663
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| Canonical SMILES |
COc1ccc(Cn2c(CCC3C=Nc4ccccc43)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1
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| InChI |
InChI=1S/C32H33N7O2/c1-41-24-13-10-21(11-14-24)20-39-30(15-12-22-18-34-27-8-4-2-6-25(22)27)37-38-32(39)29(36-31(40)17-33)16-23-19-35-28-9-5-3-7-26(23)28/h2-11,13-14,18-19,22,29,35H,12,15-17,20,33H2,1H3,(H,36,40)/t22?,29-/m1/s1
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| InChIKey |
NZODTSQMLLGMML-OLVCOQPYSA-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