General Information of the Compound
| Compound ID |
CP0434204
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| Compound Name |
2-amino-N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]acetamide
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| Structure |
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| Formula |
C33H35N7O3
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| Molecular Weight |
577.689
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)c(OC)c1
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| InChI |
InChI=1S/C33H35N7O3/c1-42-24-13-11-22(30(16-24)43-2)20-40-31(14-12-21-18-35-27-9-5-3-7-25(21)27)38-39-33(40)29(37-32(41)17-34)15-23-19-36-28-10-6-4-8-26(23)28/h3-11,13,16,18-19,29,35-36H,12,14-15,17,20,34H2,1-2H3,(H,37,41)/t29-/m1/s1
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| InChIKey |
WWQWKRWAIHYINO-GDLZYMKVSA-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