General Information of the Compound
| Compound ID |
CP0967580
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| Compound Name |
2-((1S,2S,5R)-2-Benzyl-3-azabicyclo[3.1.0]hexan-3-yl)-6-((R)-2-methylmorpholino)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C21H26N4O2
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| Molecular Weight |
366.465
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| Canonical SMILES |
C[C@@H]1CN(c2cc(=O)[nH]c(N3C[C@@H]4C[C@@H]4[C@@H]3Cc3ccccc3)n2)CCO1
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| InChI |
InChI=1S/C21H26N4O2/c1-14-12-24(7-8-27-14)19-11-20(26)23-21(22-19)25-13-16-10-17(16)18(25)9-15-5-3-2-4-6-15/h2-6,11,14,16-18H,7-10,12-13H2,1H3,(H,22,23,26)/t14-,16+,17+,18+/m1/s1
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| InChIKey |
KREZBWKMMRSYDH-UBDQQSCGSA-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