General Information of the Compound
| Compound ID |
CP0428223
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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)-3-(pyridin-3-yl)propanamide
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| Structure |
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| Formula |
C35H34N6O2
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| Molecular Weight |
570.697
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)CCc2cccnc2)c2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C35H34N6O2/c1-43-28-17-13-27(14-18-28)24-41-32(19-15-25-8-3-2-4-9-25)39-40-35(41)34(30-23-37-31-12-6-5-11-29(30)31)38-33(42)20-16-26-10-7-21-36-22-26/h2-14,17-18,21-23,34,37H,15-16,19-20,24H2,1H3,(H,38,42)/t34-/m1/s1
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| InChIKey |
DHPBYIFMAXUSPD-UUWRZZSWSA-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