General Information of the Compound
| Compound ID |
CP0175778
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| Compound Name |
({(S)-4-(2,4-Difluoro-phenyl)-1-[2-(3,4-dimethoxy-phenyl)-ethylcarbamoyl]-but-3-ynylamino}-methyl)-phosphonic acid
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| Structure |
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| Formula |
C22H25F2N2O6P
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| Molecular Weight |
482.42
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| Canonical SMILES |
COc1ccc(CCNC(=O)[C@H](CC#Cc2ccc(F)cc2F)NCP(O)(O)=O)cc1OC
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| InChI |
InChI=1S/C22H25F2N2O6P/c1-31-20-9-6-15(12-21(20)32-2)10-11-25-22(27)19(26-14-33(28,29)30)5-3-4-16-7-8-17(23)13-18(16)24/h6-9,12-13,19,26H,5,10-11,14H2,1-2H3,(H,25,27)(H2,28,29,30)/t19-/m0/s1
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| InChIKey |
XVKUEQXMAPGNSH-IBGZPJMESA-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