General Information of the Compound
| Compound ID |
CP0553099
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| Compound Name |
[(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentyl]-ethoxyphosphinic acid
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| Structure |
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| Formula |
C16H33N4O5P
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| Molecular Weight |
392.437
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| Canonical SMILES |
CCOP(O)(=O)[C@H]1C[C@@H](NC(N)=N)[C@H]([C@@H](NC(C)=O)C(CC)CC)[C@@H]1O
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| InChI |
InChI=1S/C16H33N4O5P/c1-5-10(6-2)14(19-9(4)21)13-11(20-16(17)18)8-12(15(13)22)26(23,24)25-7-3/h10-15,22H,5-8H2,1-4H3,(H,19,21)(H,23,24)(H4,17,18,20)/t11-,12+,13-,14+,15-/m1/s1
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| InChIKey |
MTOSKKSEEZQIGR-QKGCVVFFSA-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