General Information of the Compound
| Compound ID |
CP0421831
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| Compound Name |
(R)-N-((4-(4-ethylbenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)isonicotinamide
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| Structure |
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| Formula |
C34H32N6O
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| Molecular Weight |
540.671
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| Canonical SMILES |
CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccncc2)c2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C34H32N6O/c1-2-24-12-14-26(15-13-24)23-40-31(17-16-25-8-4-3-5-9-25)38-39-33(40)32(37-34(41)27-18-20-35-21-19-27)29-22-36-30-11-7-6-10-28(29)30/h3-15,18-22,32,36H,2,16-17,23H2,1H3,(H,37,41)/t32-/m1/s1
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| InChIKey |
NTTWMNHXNFLBHZ-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