General Information of the Compound
| Compound ID |
CP0428224
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| Compound Name |
(R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)-2-(pyridin-4-yl)acetamide
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| Structure |
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| Formula |
C34H32N6O2
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| Molecular Weight |
556.67
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccncc2)c2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C34H32N6O2/c1-42-27-14-11-26(12-15-27)23-40-31(16-13-24-7-3-2-4-8-24)38-39-34(40)33(29-22-36-30-10-6-5-9-28(29)30)37-32(41)21-25-17-19-35-20-18-25/h2-12,14-15,17-20,22,33,36H,13,16,21,23H2,1H3,(H,37,41)/t33-/m1/s1
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| InChIKey |
PPYBJQHOLSIQKN-MGBGTMOVSA-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