General Information of the Compound
| Compound ID |
CP0938647
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| Compound Name |
2-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl](butyl)amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C25H29FN6OS
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| Molecular Weight |
480.613
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| Canonical SMILES |
CCCCN(CCc1nc2ccccc2[nH]1)CCc1nc(C(=O)NCc2ncccc2F)cs1
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| InChI |
InChI=1S/C25H29FN6OS/c1-2-3-13-32(14-10-23-29-19-8-4-5-9-20(19)30-23)15-11-24-31-22(17-34-24)25(33)28-16-21-18(26)7-6-12-27-21/h4-9,12,17H,2-3,10-11,13-16H2,1H3,(H,28,33)(H,29,30)
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| InChIKey |
NPJUUMBIPLUQJB-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: PT06104, Solute carrier family 40 member 1
Protein ID: PT06354, Solute carrier family 40 member 1