General Information of the Compound
| Compound ID |
CP0384925
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| Compound Name |
[(7R)-4-(5-chloro-2-methylpyrimidin-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 |
C20H22ClN7O
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| Molecular Weight |
411.897
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| Canonical SMILES |
C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1Cl
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| InChI |
InChI=1S/C20H22ClN7O/c1-14-7-10-26(19-17(21)13-22-15(2)25-19)11-12-27(14)20(29)16-5-3-4-6-18(16)28-23-8-9-24-28/h3-6,8-9,13-14H,7,10-12H2,1-2H3/t14-/m1/s1
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| InChIKey |
GWEXBBKGSYMXAN-CQSZACIVSA-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