General Information of the Compound
| Compound ID |
CP0284970
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| Compound Name |
[[(2S)-5-(2,4-difluorophenyl)-1-oxo-1-(3-phenylpropylamino)pent-4-yn-2-yl]amino]methylphosphonic acid
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| Structure |
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| Formula |
C21H23F2N2O4P
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| Molecular Weight |
436.395
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| Canonical SMILES |
OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCCc1ccccc1
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| InChI |
InChI=1S/C21H23F2N2O4P/c22-18-12-11-17(19(23)14-18)9-4-10-20(25-15-30(27,28)29)21(26)24-13-5-8-16-6-2-1-3-7-16/h1-3,6-7,11-12,14,20,25H,5,8,10,13,15H2,(H,24,26)(H2,27,28,29)/t20-/m0/s1
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| InChIKey |
CUXSRYOPSIUUQD-FQEVSTJZSA-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