General Information of the Compound
| Compound ID |
CP0466391
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| Compound Name |
1-[(S)-(3-bromopyridin-2-yl)-[4-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1,1,1-trifluoropropan-2-yl]urea
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| Structure |
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| Formula |
C17H14BrF6N3O
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| Molecular Weight |
470.211
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| Canonical SMILES |
C[C@H](NC(=O)N[C@@H](c1ccc(cc1)C(F)(F)F)c1ncccc1Br)C(F)(F)F
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| InChI |
InChI=1S/C17H14BrF6N3O/c1-9(16(19,20)21)26-15(28)27-13(14-12(18)3-2-8-25-14)10-4-6-11(7-5-10)17(22,23)24/h2-9,13H,1H3,(H2,26,27,28)/t9-,13-/m0/s1
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| InChIKey |
GZJHLTVSKCCFRM-ZANVPECISA-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