General Information of the Compound
| Compound ID |
CP0105617
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-phenylpropanamide
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| Structure |
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| Formula |
C16H19N3O2
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| Molecular Weight |
285.347
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| Canonical SMILES |
O=C(CCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C16H19N3O2/c17-11-14-7-4-10-19(14)16(21)12-18-15(20)9-8-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-10,12H2,(H,18,20)/t14-/m0/s1
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| InChIKey |
JGRKLZOYDCJADH-AWEZNQCLSA-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