General Information of the Compound
| Compound ID |
CP0183200
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| Compound Name |
[[(2S)-1-[2-(4-bromophenyl)ethylamino]-5-(2-fluorophenyl)-1-oxopent-4-yn-2-yl]amino]methylphosphonic acid
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| Structure |
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| Formula |
C20H21BrFN2O4P
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| Molecular Weight |
483.274
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| Canonical SMILES |
OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1ccc(Br)cc1
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| InChI |
InChI=1S/C20H21BrFN2O4P/c21-17-10-8-15(9-11-17)12-13-23-20(25)19(24-14-29(26,27)28)7-3-5-16-4-1-2-6-18(16)22/h1-2,4,6,8-11,19,24H,7,12-14H2,(H,23,25)(H2,26,27,28)/t19-/m0/s1
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| InChIKey |
NJDKTECRJPWYTH-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