General Information of the Compound
| Compound ID |
CP0911597
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| Compound Name |
(R)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethylamino)-2-oxoethyl]-4-cyanotetrahydro-2H-pyran-4-carboxamide
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| Formula |
C37H39N7O4
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| Molecular Weight |
645.764
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C2(C#N)CCOCC2)cc1
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| InChI |
InChI=1S/C37H39N7O4/c1-47-29-14-11-27(12-15-29)24-44-33(16-13-26-7-3-2-4-8-26)42-43-35(44)32(21-28-22-39-31-10-6-5-9-30(28)31)41-34(45)23-40-36(46)37(25-38)17-19-48-20-18-37/h2-12,14-15,22,32,39H,13,16-21,23-24H2,1H3,(H,40,46)(H,41,45)/t32-/m1/s1
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| InChIKey |
LZQZKSBCXYVGMD-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