General Information of the Compound
| Compound ID |
CP0477946
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| Compound Name |
(2S,4R)-4-hydroxy-N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}ethyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C33H36N6O3
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| Molecular Weight |
564.69
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2)cc1
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| InChI |
InChI=1S/C33H36N6O3/c1-42-26-14-11-23(12-15-26)21-39-31(16-13-22-7-3-2-4-8-22)37-38-32(39)29(36-33(41)30-18-25(40)20-35-30)17-24-19-34-28-10-6-5-9-27(24)28/h2-12,14-15,19,25,29-30,34-35,40H,13,16-18,20-21H2,1H3,(H,36,41)/t25-,29-,30+/m1/s1
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| InChIKey |
MOJIJWBWUZNLBR-RKJPZGCHSA-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