General Information of the Compound
| Compound ID |
CP0926417
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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]-2-(4-aminopiperidin-1-yl)acetamide
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| Formula |
C35H41N7O2
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| Molecular Weight |
591.76
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN2CCC(N)CC2)cc1
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| InChI |
InChI=1S/C35H41N7O2/c1-44-29-14-11-26(12-15-29)23-42-33(16-13-25-7-3-2-4-8-25)39-40-35(42)32(21-27-22-37-31-10-6-5-9-30(27)31)38-34(43)24-41-19-17-28(36)18-20-41/h2-12,14-15,22,28,32,37H,13,16-21,23-24,36H2,1H3,(H,38,43)/t32-/m1/s1
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| InChIKey |
UDVJZPUBHQRYSO-JGCGQSQUSA-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