General Information of the Compound
| Compound ID |
CP0953819
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| Compound Name |
6-((1S,2S,5R)-2-Benzyl-3-azabicyclo[3.1.0]hexan-3-yl)-4-((R)-2-methylmorpholino)pyridin-2(1H)-one
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| Structure |
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
C[C@@H]1CN(c2cc(N3C[C@@H]4C[C@@H]4[C@@H]3Cc3ccccc3)[nH]c(=O)c2)CCO1
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| InChI |
InChI=1S/C22H27N3O2/c1-15-13-24(7-8-27-15)18-11-21(23-22(26)12-18)25-14-17-10-19(17)20(25)9-16-5-3-2-4-6-16/h2-6,11-12,15,17,19-20H,7-10,13-14H2,1H3,(H,23,26)/t15-,17+,19+,20+/m1/s1
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| InChIKey |
GCKKBGHFJIZIAB-LQJIQPLVSA-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