General Information of the Compound
| Compound ID |
CP0493553
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| Compound Name |
(2R,3R,4S)-3-(cyclobutanecarbonylamino)-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
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| Structure |
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| Formula |
C14H21NO8
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| Molecular Weight |
331.321
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| Canonical SMILES |
OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)C1CCC1)C(O)=O
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| InChI |
InChI=1S/C14H21NO8/c16-5-8(18)11(19)12-10(15-13(20)6-2-1-3-6)7(17)4-9(23-12)14(21)22/h4,6-8,10-12,16-19H,1-3,5H2,(H,15,20)(H,21,22)/t7-,8+,10+,11+,12+/m0/s1
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| InChIKey |
QRUHEHZWGDXEOE-RULNCXCMSA-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