General Information of the Compound
| Compound ID |
CP0111281
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-methoxybenzamide
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| Structure |
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| Formula |
C15H17N3O3
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| Molecular Weight |
287.319
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| Canonical SMILES |
COc1cccc(c1)C(=O)NCC(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C15H17N3O3/c1-21-13-6-2-4-11(8-13)15(20)17-10-14(19)18-7-3-5-12(18)9-16/h2,4,6,8,12H,3,5,7,10H2,1H3,(H,17,20)/t12-/m0/s1
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| InChIKey |
IQIYWEWUYQHYOE-LBPRGKRZSA-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