General Information of the Compound
| Compound ID |
CP0474190
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| Compound Name |
[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentyl]phosphonic acid
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| Structure |
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| Formula |
C14H29N4O5P
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| Molecular Weight |
364.383
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| Canonical SMILES |
CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C[C@H]1NC(N)=N)P(O)(O)=O
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| InChI |
InChI=1S/C14H29N4O5P/c1-4-8(5-2)12(17-7(3)19)11-9(18-14(15)16)6-10(13(11)20)24(21,22)23/h8-13,20H,4-6H2,1-3H3,(H,17,19)(H4,15,16,18)(H2,21,22,23)/t9-,10+,11-,12+,13-/m1/s1
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| InChIKey |
MFIRUHFIDHZFSM-RXGFPQBGSA-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
Protein ID: PT00018, Neuraminidase
Cell-based Assay
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000031 | MDCK | Canis lupus familiaris (Dog) | 1 |
| 1 |
CC50 > 100000 nM
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TI
LI
LO
TS
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