General Information of the Compound
| Compound ID |
CP0167270
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| Compound Name |
[[(2S)-5-(2,4-difluorophenyl)-1-(3-methylbutylamino)-1-oxopent-4-yn-2-yl]amino]methylphosphonic acid
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| Structure |
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| Formula |
C17H23F2N2O4P
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| Molecular Weight |
388.351
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| Canonical SMILES |
CC(C)CCNC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O
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| InChI |
InChI=1S/C17H23F2N2O4P/c1-12(2)8-9-20-17(22)16(21-11-26(23,24)25)5-3-4-13-6-7-14(18)10-15(13)19/h6-7,10,12,16,21H,5,8-9,11H2,1-2H3,(H,20,22)(H2,23,24,25)/t16-/m0/s1
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| InChIKey |
PHUXKOLFTVYGOR-INIZCTEOSA-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