General Information of the Compound
| Compound ID |
CP0409800
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| Compound Name |
1-[[(2R,3S,4S,5R,6R)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-3,4,5-trihydroxyoxan-2-yl]methyl]-3-(3-chloropropyl)urea
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| Structure |
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| Formula |
C28H33Cl2N3O5
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| Molecular Weight |
562.494
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| Canonical SMILES |
O[C@@H]1[C@@H](CNC(=O)NCCCCl)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C28H33Cl2N3O5/c29-11-2-12-31-28(37)32-14-22-24(34)25(35)26(36)27(38-22)33-15-19(23-20(30)3-1-4-21(23)33)13-16-5-7-17(8-6-16)18-9-10-18/h1,3-8,15,18,22,24-27,34-36H,2,9-14H2,(H2,31,32,37)/t22-,24-,25+,26-,27-/m1/s1
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| InChIKey |
IFUWGSVDQMFXFU-UIKHAHSZSA-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