General Information of the Compound
| Compound ID |
CP0903123
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| Compound Name |
2-(2-{[2-(1H-1,3-Benzodiazol-2-yl)-2-methylpropyl]amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C23H25FN6OS
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| Molecular Weight |
452.559
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| Canonical SMILES |
CC(C)(CNCCc1nc(C(=O)NCc2ncccc2F)cs1)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C23H25FN6OS/c1-23(2,22-29-16-7-3-4-8-17(16)30-22)14-25-11-9-20-28-19(13-32-20)21(31)27-12-18-15(24)6-5-10-26-18/h3-8,10,13,25H,9,11-12,14H2,1-2H3,(H,27,31)(H,29,30)
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| InChIKey |
FOATWCIRERHJBH-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