General Information of the Compound
| Compound ID |
CP0428229
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| Compound Name |
(R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(2,4-dimethoxybenzyl)-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)picolinamide
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| Structure |
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| Formula |
C36H33N7O3
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| Molecular Weight |
611.706
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1
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| InChI |
InChI=1S/C36H33N7O3/c1-45-25-16-14-24(32(19-25)46-2)22-43-33(17-15-23-20-38-29-11-5-3-9-26(23)29)41-42-35(43)34(40-36(44)31-13-7-8-18-37-31)28-21-39-30-12-6-4-10-27(28)30/h3-14,16,18-21,34,38-39H,15,17,22H2,1-2H3,(H,40,44)/t34-/m1/s1
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| InChIKey |
FHQKAGIQMMQMOI-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