General Information of the Compound
| Compound ID |
CP0938045
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| Compound Name |
methyl N-[(1R)-2-[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]carbamate
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| Structure |
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| Formula |
C17H20N4O3
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| Molecular Weight |
328.372
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| Canonical SMILES |
COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc[nH]1)c1ccccc1
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| InChI |
InChI=1S/C17H20N4O3/c1-24-17(23)20-14(12-6-3-2-4-7-12)16(22)21-11-5-8-13(21)15-18-9-10-19-15/h2-4,6-7,9-10,13-14H,5,8,11H2,1H3,(H,18,19)(H,20,23)/t13-,14+/m0/s1
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| InChIKey |
DKFDECDMJFWAFT-UONOGXRCSA-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