General Information of the Compound
| Compound ID |
CP0419723
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| Compound Name |
2-amino-N-[(1R)-1-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C31H33FN6O
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| Molecular Weight |
524.644
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(F)cc1
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| InChI |
InChI=1S/C31H33FN6O/c1-31(2,33)30(39)35-27(18-23-19-34-26-11-7-6-10-25(23)26)29-37-36-28(17-14-21-8-4-3-5-9-21)38(29)20-22-12-15-24(32)16-13-22/h3-13,15-16,19,27,34H,14,17-18,20,33H2,1-2H3,(H,35,39)/t27-/m1/s1
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| InChIKey |
OMQXCGLSXYUOJX-HHHXNRCGSA-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