General Information of the Compound
| Compound ID |
CP0876615
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| Compound Name |
N-((R)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)tetrahydro-2H-pyran-4-carboxamide
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| Structure |
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| Formula |
C34H39N5O3
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| Molecular Weight |
565.718
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| Canonical SMILES |
COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCOCC3)=NNC2CCc2ccccc2)cc1
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| InChI |
InChI=1S/C34H39N5O3/c1-41-28-14-11-25(12-15-28)23-39-32(16-13-24-7-3-2-4-8-24)37-38-33(39)31(36-34(40)26-17-19-42-20-18-26)21-27-22-35-30-10-6-5-9-29(27)30/h2-12,14-15,22,26,31-32,35,37H,13,16-21,23H2,1H3,(H,36,40)/t31-,32?/m1/s1
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| InChIKey |
RNQKHARPTXPRBL-XGDNGBMYSA-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