General Information of the Compound
| Compound ID |
CP0903751
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| Compound Name |
2-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl]amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C22H23FN6OS
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| Molecular Weight |
438.532
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| Canonical SMILES |
Cc1nc(CCNCCc2nc3ccccc3[nH]2)sc1C(=O)NCc1ncccc1F
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| InChI |
InChI=1S/C22H23FN6OS/c1-14-21(22(30)26-13-18-15(23)5-4-10-25-18)31-20(27-14)9-12-24-11-8-19-28-16-6-2-3-7-17(16)29-19/h2-7,10,24H,8-9,11-13H2,1H3,(H,26,30)(H,28,29)
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| InChIKey |
UDPAPGBEJCJSML-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