General Information of the Compound
| Compound ID |
CP0403076
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| Compound Name |
(R)-N-((4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)benzamide
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| Structure |
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| Formula |
C35H33N5O3
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| Molecular Weight |
571.681
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccc2)c2c[nH]c3ccccc23)c(OC)c1
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| InChI |
InChI=1S/C35H33N5O3/c1-42-27-19-18-26(31(21-27)43-2)23-40-32(20-17-24-11-5-3-6-12-24)38-39-34(40)33(37-35(41)25-13-7-4-8-14-25)29-22-36-30-16-10-9-15-28(29)30/h3-16,18-19,21-22,33,36H,17,20,23H2,1-2H3,(H,37,41)/t33-/m1/s1
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| InChIKey |
AJMNYVOTXIKAAT-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