General Information of the Compound
| Compound ID |
CP0959708
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-{[2-(trifluoromethoxy)phenyl]methyl}-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C22H20F3N5O2S
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| Molecular Weight |
475.496
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| Canonical SMILES |
O=C(NCc1ccccc1OC(F)(F)F)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C22H20F3N5O2S/c23-22(24,25)32-18-8-4-1-5-14(18)11-27-21(31)17-13-33-20(30-17)9-10-26-12-19-28-15-6-2-3-7-16(15)29-19/h1-8,13,26H,9-12H2,(H,27,31)(H,28,29)
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| InChIKey |
VZGRANMISMQZGK-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