General Information of the Compound
| Compound ID |
CP0839447
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| Compound Name |
6-((R)-2-Benzylazepan-1-yl)-4-((R)-2-methylmorpholino)pyridin-2(1H)-one
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| Formula |
C23H31N3O2
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| Molecular Weight |
381.52
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| Canonical SMILES |
C[C@@H]1CN(c2cc(N3CCCCC[C@@H]3Cc3ccccc3)[nH]c(=O)c2)CCO1
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| InChI |
InChI=1S/C23H31N3O2/c1-18-17-25(12-13-28-18)21-15-22(24-23(27)16-21)26-11-7-3-6-10-20(26)14-19-8-4-2-5-9-19/h2,4-5,8-9,15-16,18,20H,3,6-7,10-14,17H2,1H3,(H,24,27)/t18-,20-/m1/s1
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| InChIKey |
FQPNWCRJDKXNCJ-UYAOXDASSA-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