General Information of the Compound
| Compound ID |
CP0411780
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| Compound Name |
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[2-[4-[[4-hydroxy-2-methyl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]ethyl]urea
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| Structure |
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| Formula |
C27H38N2O10
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| Molecular Weight |
550.605
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| Canonical SMILES |
Cc1cc(O)c(cc1Cc1ccc(CCNC(=O)NC(CO)(CO)CO)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C27H38N2O10/c1-15-8-20(34)19(25-24(37)23(36)22(35)21(11-30)39-25)10-18(15)9-17-4-2-16(3-5-17)6-7-28-26(38)29-27(12-31,13-32)14-33/h2-5,8,10,21-25,30-37H,6-7,9,11-14H2,1H3,(H2,28,29,38)/t21-,22-,23+,24-,25+/m1/s1
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| InChIKey |
CSTNPWDBBVIJSR-RXFVIIJJSA-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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2