General Information of the Compound
| Compound ID |
CP0855329
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| Compound Name |
1-{4-[2-(2,4-Dichloro-phenyl)-6-(1,1-dioxo-1lambda(6)-isothiazolidin-2-yl)-imidazo[1,2-a]pyridin-3-ylmethyl]-piperazin-1-yl}-ethanone
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| Structure |
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| Formula |
C23H25Cl2N5O3S
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| Molecular Weight |
522.458
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| Canonical SMILES |
CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(N4CCCS4(=O)=O)cn23)CC1
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| InChI |
InChI=1S/C23H25Cl2N5O3S/c1-16(31)28-10-8-27(9-11-28)15-21-23(19-5-3-17(24)13-20(19)25)26-22-6-4-18(14-29(21)22)30-7-2-12-34(30,32)33/h3-6,13-14H,2,7-12,15H2,1H3
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| InChIKey |
YSRQBNMNVCSEPA-UHFFFAOYSA-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: PT04657, Solute carrier family 2, facilitated glucose transporter member 1
Protein ID: PT06319, Solute carrier family 2, facilitated glucose transporter member 2
Protein ID: PT06387, Solute carrier family 2, facilitated glucose transporter member 3
Protein ID: PT03440, Solute carrier family 2, facilitated glucose transporter member 4