General Information of the Compound
| Compound ID |
CP0500320
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| Compound Name |
(2S,3R,4S,5S,6R)-2-[[5-cyclopropyl-4-[(2-phenylmethoxyphenyl)methyl]-1H-pyrazol-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C26H30N2O7
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| Molecular Weight |
482.533
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2[nH]nc(C3CC3)c2Cc2ccccc2OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C26H30N2O7/c29-13-20-22(30)23(31)24(32)26(34-20)35-25-18(21(27-28-25)16-10-11-16)12-17-8-4-5-9-19(17)33-14-15-6-2-1-3-7-15/h1-9,16,20,22-24,26,29-32H,10-14H2,(H,27,28)/t20-,22-,23+,24-,26+/m1/s1
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| InChIKey |
MAAKWWYJBOXEMO-TXKDOCKMSA-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