General Information of the Compound
| Compound ID |
CP0406375
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| Compound Name |
[(7R)-4-(4-methoxy-5-methylpyrimidin-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C22H27N7O2
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| Molecular Weight |
421.505
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| Canonical SMILES |
COc1nc(ncc1C)N1CC[C@@H](C)N(CC1)C(=O)c1cc(C)ccc1-n1nccn1
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| InChI |
InChI=1S/C22H27N7O2/c1-15-5-6-19(29-24-8-9-25-29)18(13-15)21(30)28-12-11-27(10-7-17(28)3)22-23-14-16(2)20(26-22)31-4/h5-6,8-9,13-14,17H,7,10-12H2,1-4H3/t17-/m1/s1
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| InChIKey |
DATGVCAABOBZPE-QGZVFWFLSA-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