General Information of the Compound
| Compound ID |
CP0454088
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| Compound Name |
(R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-benzyl-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)-2-(pyridin-2-yl)acetamide
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| Structure |
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| Formula |
C35H31N7O
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| Molecular Weight |
565.681
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| Canonical SMILES |
O=C(Cc1ccccn1)N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1
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| InChI |
InChI=1S/C35H31N7O/c43-33(20-26-12-8-9-19-36-26)39-34(29-22-38-31-16-7-5-14-28(29)31)35-41-40-32(42(35)23-24-10-2-1-3-11-24)18-17-25-21-37-30-15-6-4-13-27(25)30/h1-16,19,21-22,34,37-38H,17-18,20,23H2,(H,39,43)/t34-/m1/s1
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| InChIKey |
HXLQPBRMVKGWMC-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