General Information of the Compound
| Compound ID |
CP0482938
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| Compound Name |
(2R,3R,4S)-3-(heptanoylamino)-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 |
C16H27NO8
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| Molecular Weight |
361.391
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| Canonical SMILES |
CCCCCCC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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| InChI |
InChI=1S/C16H27NO8/c1-2-3-4-5-6-12(21)17-13-9(19)7-11(16(23)24)25-15(13)14(22)10(20)8-18/h7,9-10,13-15,18-20,22H,2-6,8H2,1H3,(H,17,21)(H,23,24)/t9-,10+,13+,14+,15+/m0/s1
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| InChIKey |
IDORHNCYWWBDRE-HFTJKPBSSA-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