General Information of the Compound
| Compound ID |
CP0478508
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| Compound Name |
methyl 3-[[(2R,3S,4S,5R,6R)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-3,4,5-trihydroxyoxan-2-yl]methylamino]-3-oxopropanoate
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| Structure |
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| Formula |
C28H31ClN2O7
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| Molecular Weight |
543.016
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| Canonical SMILES |
COC(=O)CC(=O)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/C28H31ClN2O7/c1-37-23(33)12-22(32)30-13-21-25(34)26(35)27(36)28(38-21)31-14-18(24-19(29)3-2-4-20(24)31)11-15-5-7-16(8-6-15)17-9-10-17/h2-8,14,17,21,25-28,34-36H,9-13H2,1H3,(H,30,32)/t21-,25-,26+,27-,28-/m1/s1
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| InChIKey |
KBNLLFFWZMJVBR-QCCXDOPZSA-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