General Information of the Compound
| Compound ID |
CP0111282
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-cyclopentyloxy-4-methoxybenzamide
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| Structure |
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| Formula |
C20H25N3O4
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| Molecular Weight |
371.437
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| Canonical SMILES |
COc1ccc(cc1OC1CCCC1)C(=O)NCC(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C20H25N3O4/c1-26-17-9-8-14(11-18(17)27-16-6-2-3-7-16)20(25)22-13-19(24)23-10-4-5-15(23)12-21/h8-9,11,15-16H,2-7,10,13H2,1H3,(H,22,25)/t15-/m0/s1
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| InChIKey |
BEJSIQLVRYUNRD-HNNXBMFYSA-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