General Information of the Compound
| Compound ID |
CP0529922
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| Compound Name |
(5R,6R)-1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-bromo-5-methyl-6-propan-2-yloxy-1,3-diazinane-2,4-dione
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| Structure |
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| Formula |
C13H20BrN5O5
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| Molecular Weight |
406.237
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| Canonical SMILES |
CC(C)O[C@H]1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)[C@]1(C)Br
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| InChI |
InChI=1S/C13H20BrN5O5/c1-6(2)23-11-13(3,14)10(21)16-12(22)19(11)9-4-7(17-18-15)8(5-20)24-9/h6-9,11,20H,4-5H2,1-3H3,(H,16,21,22)/t7?,8?,9?,11-,13+/m1/s1
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| InChIKey |
UMBMZMNWHOIUIQ-KKKZHMRBSA-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