General Information of the Compound
| Compound ID |
CP0380078
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| Compound Name |
[(7R)-4-(2,5-dimethylpyrimidin-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 |
C21H25N7O
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| Molecular Weight |
391.479
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| Canonical SMILES |
C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(C)ncc1C
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| InChI |
InChI=1S/C21H25N7O/c1-15-14-22-17(3)25-20(15)26-11-8-16(2)27(13-12-26)21(29)18-6-4-5-7-19(18)28-23-9-10-24-28/h4-7,9-10,14,16H,8,11-13H2,1-3H3/t16-/m1/s1
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| InChIKey |
BAZNCIHVTQDHPY-MRXNPFEDSA-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