General Information of the Compound
| Compound ID |
CP0105616
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| Compound Name |
N'-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]butanediamide
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| Structure |
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| Formula |
C18H21FN4O3
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| Molecular Weight |
360.389
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| Canonical SMILES |
Fc1ccc(CNC(=O)CCC(=O)NCC(=O)N2CCC[C@H]2C#N)cc1
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| InChI |
InChI=1S/C18H21FN4O3/c19-14-5-3-13(4-6-14)11-21-16(24)7-8-17(25)22-12-18(26)23-9-1-2-15(23)10-20/h3-6,15H,1-2,7-9,11-12H2,(H,21,24)(H,22,25)/t15-/m0/s1
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| InChIKey |
TXILAFXSFBBAJD-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