General Information of the Compound
| Compound ID |
CP0967579
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| Compound Name |
2-((R)-2-Benzylazepan-1-yl)-6-((R)-2-methylmorpholino)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C22H30N4O2
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| Molecular Weight |
382.508
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| Canonical SMILES |
C[C@@H]1CN(c2cc(=O)[nH]c(N3CCCCC[C@@H]3Cc3ccccc3)n2)CCO1
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| InChI |
InChI=1S/C22H30N4O2/c1-17-16-25(12-13-28-17)20-15-21(27)24-22(23-20)26-11-7-3-6-10-19(26)14-18-8-4-2-5-9-18/h2,4-5,8-9,15,17,19H,3,6-7,10-14,16H2,1H3,(H,23,24,27)/t17-,19-/m1/s1
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| InChIKey |
BWCDJBGHHAEAMF-IEBWSBKVSA-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