General Information of the Compound
| Compound ID |
CP0903132
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C21H18ClF3N6OS
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| Molecular Weight |
494.93
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| Canonical SMILES |
O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C21H18ClF3N6OS/c22-13-7-12(21(23,24)25)8-27-16(13)9-28-20(32)17-11-33-19(31-17)5-6-26-10-18-29-14-3-1-2-4-15(14)30-18/h1-4,7-8,11,26H,5-6,9-10H2,(H,28,32)(H,29,30)
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| InChIKey |
OZDABTRTDNYVFC-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