General Information of the Compound
| Compound ID |
CP0393030
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| Compound Name |
2-amino-N-[(R)-[4-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-(1H-indol-3-yl)methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C32H36N6O3
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| Molecular Weight |
552.679
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc23)c(OC)c1
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| InChI |
InChI=1S/C32H36N6O3/c1-32(2,33)31(39)35-29(25-19-34-26-13-9-8-12-24(25)26)30-37-36-28(17-14-21-10-6-5-7-11-21)38(30)20-22-15-16-23(40-3)18-27(22)41-4/h5-13,15-16,18-19,29,34H,14,17,20,33H2,1-4H3,(H,35,39)/t29-/m1/s1
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| InChIKey |
JITIKAAYUHJSMC-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