General Information of the Compound
| Compound ID |
CP0386076
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| Compound Name |
(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C24H27ClN2O4
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| Molecular Weight |
442.943
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| Canonical SMILES |
NC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C24H27ClN2O4/c25-17-2-1-3-18-20(17)16(10-13-4-6-14(7-5-13)15-8-9-15)12-27(18)24-23(30)22(29)21(28)19(11-26)31-24/h1-7,12,15,19,21-24,28-30H,8-11,26H2/t19-,21-,22+,23-,24-/m1/s1
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| InChIKey |
SWJOEFJDQJHSFK-PFKOEMKTSA-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