General Information of the Compound
| Compound ID |
CP0510818
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| Compound Name |
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]piperidine-3-carboxamide
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| Structure |
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| Formula |
C37H41N7O3
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| Molecular Weight |
631.781
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCNC2)c(OC)c1
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| InChI |
InChI=1S/C37H41N7O3/c1-46-28-15-13-26(34(19-28)47-2)23-44-35(16-14-24-21-39-31-11-5-3-9-29(24)31)42-43-36(44)33(41-37(45)25-8-7-17-38-20-25)18-27-22-40-32-12-6-4-10-30(27)32/h3-6,9-13,15,19,21-22,25,33,38-40H,7-8,14,16-18,20,23H2,1-2H3,(H,41,45)/t25?,33-/m1/s1
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| InChIKey |
QIYOXEQGZPLGBP-SARHOQKNSA-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