General Information of the Compound
| Compound ID |
CP0552413
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| Compound Name |
(R)-N-(1-(5-((1H-indol-3-yl)methyl)-4-(2,4-dimethoxybenzyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
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| Structure |
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| Formula |
C34H37N7O3
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| Molecular Weight |
591.716
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| Canonical SMILES |
COc1ccc(Cn2c(Cc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1
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| InChI |
InChI=1S/C34H37N7O3/c1-34(2,35)33(42)38-29(15-22-18-36-27-11-7-5-9-25(22)27)32-40-39-31(16-23-19-37-28-12-8-6-10-26(23)28)41(32)20-21-13-14-24(43-3)17-30(21)44-4/h5-14,17-19,29,36-37H,15-16,20,35H2,1-4H3,(H,38,42)/t29-/m1/s1
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| InChIKey |
FOSNPZWBNIEQJL-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