General Information of the Compound
| Compound ID |
CP0442806
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| Compound Name |
US9212196, Derivative 31
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| Structure |
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| Formula |
C14H20NO8P
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| Molecular Weight |
361.287
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| Canonical SMILES |
COc1cc(CP(O)(=O)CC[C@@H](N)C(O)=O)ccc1OCC(O)=O
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| InChI |
InChI=1S/C14H20NO8P/c1-22-12-6-9(2-3-11(12)23-7-13(16)17)8-24(20,21)5-4-10(15)14(18)19/h2-3,6,10H,4-5,7-8,15H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t10-/m1/s1
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| InChIKey |
DROSYWQBEHIXTD-SNVBAGLBSA-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