General Information of the Compound
| Compound ID |
CP0440123
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| Compound Name |
(14E)-14-ethylidene-6-methoxy-19-(methoxycarbonyl)-2-methyl-19-{[(3,4,5-trimethoxyphenyl)carbonyloxy]methyl}-18-oxa-2,12-diazahexacyclo[9.6.1.1^{9,15}.0^{1,9}.0^{3,8}.0^{12,17}]nonadeca-3(8),4,6-trien-12-ium-12-olate
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| Structure |
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| Formula |
C33H38N2O10
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| Molecular Weight |
622.671
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| Canonical SMILES |
COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@H]3[C@]45O[C@@H](C[C@]14c1cc(OC)ccc1N5C)[N+]3([O-])C\C2=C\C
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| InChI |
InChI=1S/C33H38N2O10/c1-8-18-16-35(38)26-14-21(18)31(30(37)43-7,17-44-29(36)19-11-24(40-4)28(42-6)25(12-19)41-5)32-15-27(35)45-33(26,32)34(2)23-10-9-20(39-3)13-22(23)32/h8-13,21,26-27H,14-17H2,1-7H3/b18-8-/t21-,26-,27-,31-,32-,33-,35?/m0/s1
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| InChIKey |
LELCCVFXAKTLGY-AVGKHWAZSA-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