General Information of the Compound
| Compound ID |
CP0903108
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| Compound Name |
4-(2-{[2-(1H-1,3-Benzodiazol-2-yl)-2,2-difluoroethyl]amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-2-carboxamide
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| Structure |
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| Formula |
C21H19F3N6OS
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| Molecular Weight |
460.485
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1nc(CCNCC(F)(F)c2nc3ccccc3[nH]2)cs1
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| InChI |
InChI=1S/C21H19F3N6OS/c22-14-4-3-8-26-17(14)10-27-18(31)19-28-13(11-32-19)7-9-25-12-21(23,24)20-29-15-5-1-2-6-16(15)30-20/h1-6,8,11,25H,7,9-10,12H2,(H,27,31)(H,29,30)
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| InChIKey |
GMRQDQBAZDJHPW-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