General Information of the Compound
| Compound ID |
CP0451988
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| Compound Name |
[(1R,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)cyclopentyl]-hexoxyphosphinic acid
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| Structure |
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| Formula |
C20H41N4O4P
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| Molecular Weight |
432.546
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| Canonical SMILES |
CCCCCCOP(O)(=O)[C@H]1C[C@@H](NC(N)=N)[C@@H](C1)[C@@H](NC(C)=O)C(CC)CC
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| InChI |
InChI=1S/C20H41N4O4P/c1-5-8-9-10-11-28-29(26,27)16-12-17(18(13-16)24-20(21)22)19(23-14(4)25)15(6-2)7-3/h15-19H,5-13H2,1-4H3,(H,23,25)(H,26,27)(H4,21,22,24)/t16-,17-,18-,19+/m1/s1
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| InChIKey |
QQOCYKVVEANKGY-MKXGPGLRSA-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