General Information of the Compound
| Compound ID |
CP0376518
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| Compound Name |
Alstiphyllanine E
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| Synonyms |
Alstiphyllanine E
CHEMBL592477
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| Structure |
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| Formula |
C30H32N2O7
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| Molecular Weight |
532.593
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| Canonical SMILES |
COC(=O)[C@]1(COC(=O)c2ccc(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4ccccc4N[C@]31O2
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| InChI |
InChI=1S/C30H32N2O7/c1-5-17-15-32-24-13-20(17)28(27(34)37-4,16-38-26(33)18-10-11-22(35-2)23(12-18)36-3)29-14-25(32)39-30(24,29)31-21-9-7-6-8-19(21)29/h5-12,20,24-25,31H,13-16H2,1-4H3/b17-5-/t20-,24-,25-,28-,29-,30-/m0/s1
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| InChIKey |
NPAPHJSGCRCHBM-UMLFCLJTSA-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
Clinical Information about the Compound