General Information of the Compound
| Compound ID |
CP0378580
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| Compound Name |
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[2-(4-methoxyphenyl)ethyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C33H38N6O2
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| Molecular Weight |
550.707
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| Canonical SMILES |
COc1ccc(CCn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1
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| InChI |
InChI=1S/C33H38N6O2/c1-33(2,34)32(40)36-29(21-25-22-35-28-12-8-7-11-27(25)28)31-38-37-30(18-15-23-9-5-4-6-10-23)39(31)20-19-24-13-16-26(41-3)17-14-24/h4-14,16-17,22,29,35H,15,18-21,34H2,1-3H3,(H,36,40)/t29-/m1/s1
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| InChIKey |
LNXNSJSFRCLLIC-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