General Information of the Compound
| Compound ID |
CP0428458
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| Compound Name |
(R)-N-(1-(4-(4-ethylbenzyl)-5-phenethyl-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 |
C33H38N6O
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| Molecular Weight |
534.708
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| Canonical SMILES |
CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1
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| InChI |
InChI=1S/C33H38N6O/c1-4-23-14-16-25(17-15-23)22-39-30(19-18-24-10-6-5-7-11-24)37-38-31(39)29(36-32(40)33(2,3)34)20-26-21-35-28-13-9-8-12-27(26)28/h5-17,21,29,35H,4,18-20,22,34H2,1-3H3,(H,36,40)/t29-/m1/s1
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| InChIKey |
KNCIAPXAOKJOKJ-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