General Information of the Compound
| Compound ID |
CP0384924
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| Compound Name |
[(7R)-4-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C20H19ClF3N7O
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| Molecular Weight |
465.867
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| Canonical SMILES |
C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(Cl)ncc1C(F)(F)F
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| InChI |
InChI=1S/C20H19ClF3N7O/c1-13-6-9-29(17-15(20(22,23)24)12-25-19(21)28-17)10-11-30(13)18(32)14-4-2-3-5-16(14)31-26-7-8-27-31/h2-5,7-8,12-13H,6,9-11H2,1H3/t13-/m1/s1
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| InChIKey |
QYKDJXURXXPTHP-CYBMUJFWSA-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