General Information of the Compound
| Compound ID |
CP0448711
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| Compound Name |
(S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-amino)-pent-4-ynoylamino]-3-naphthalen-2-yl-propionic acid
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| Structure |
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| Formula |
C25H24FN2O6P
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| Molecular Weight |
498.447
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
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| InChI |
InChI=1S/C25H24FN2O6P/c26-21-10-4-3-7-19(21)9-5-11-22(27-16-35(32,33)34)24(29)28-23(25(30)31)15-17-12-13-18-6-1-2-8-20(18)14-17/h1-4,6-8,10,12-14,22-23,27H,11,15-16H2,(H,28,29)(H,30,31)(H2,32,33,34)/t22-,23-/m0/s1
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| InChIKey |
CZZZCPCMXBFLPX-GOTSBHOMSA-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