General Information of the Compound
| Compound ID |
CP0432522
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| Compound Name |
N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]isoquinoline-1-carboxamide
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| Structure |
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| Formula |
C38H34N6O2
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| Molecular Weight |
606.73
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2nccc3ccccc23)cc1
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| InChI |
InChI=1S/C38H34N6O2/c1-46-30-18-15-27(16-19-30)25-44-35(20-17-26-9-3-2-4-10-26)42-43-37(44)34(23-29-24-40-33-14-8-7-12-31(29)33)41-38(45)36-32-13-6-5-11-28(32)21-22-39-36/h2-16,18-19,21-22,24,34,40H,17,20,23,25H2,1H3,(H,41,45)/t34-/m1/s1
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| InChIKey |
QORGDVRADYPKQZ-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