General Information of the Compound
| Compound ID |
CP0376522
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| Compound Name |
methyl (1R,9S,11S,14E,15S,17S,19R)-14-ethylidene-6-methoxy-2-methyl-19-[[(E)-3-phenylprop-2-enoyl]oxymethyl]-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate
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| Structure |
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| Formula |
C32H34N2O6
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| Molecular Weight |
542.632
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| Canonical SMILES |
COC(=O)[C@]1(COC(=O)\C=C\c2ccccc2)[C@H]2C[C@@H]3N(C\C2=C\C)[C@@H]2C[C@]11c4cc(OC)ccc4N(C)[C@]31O2
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| InChI |
InChI=1S/C32H34N2O6/c1-5-21-18-34-26-16-23(21)30(29(36)38-4,19-39-28(35)14-11-20-9-7-6-8-10-20)31-17-27(34)40-32(26,31)33(2)25-13-12-22(37-3)15-24(25)31/h5-15,23,26-27H,16-19H2,1-4H3/b14-11+,21-5-/t23-,26-,27-,30-,31-,32-/m0/s1
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| InChIKey |
AGIAKZIUEDYVAM-JNSBEWQRSA-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