General Information of the Compound
| Compound ID |
CP0415064
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| Compound Name |
(2R,3R,4S)-3-(hexanoylamino)-2-[(1R,2R)-3-(hexanoylamino)-1,2-dihydroxypropyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
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| Structure |
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| Formula |
C21H36N2O8
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| Molecular Weight |
444.525
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| Canonical SMILES |
CCCCCC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)CCCCC)C(O)=O
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| InChI |
InChI=1S/C21H36N2O8/c1-3-5-7-9-16(26)22-12-14(25)19(28)20-18(23-17(27)10-8-6-4-2)13(24)11-15(31-20)21(29)30/h11,13-14,18-20,24-25,28H,3-10,12H2,1-2H3,(H,22,26)(H,23,27)(H,29,30)/t13-,14+,18+,19+,20+/m0/s1
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| InChIKey |
KBYKSOPUIHFIQP-WHHUABKHSA-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