General Information of the Compound
| Compound ID |
CP0389677
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| Compound Name |
3-chloro-4-[5-cyclopropyl-6-[[7-(5-fluoropyrimidin-2-yl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl]oxy]pyrimidin-4-yl]oxybenzonitrile
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| Structure |
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| Formula |
C25H22ClFN6O3
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| Molecular Weight |
508.941
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| Canonical SMILES |
Fc1cnc(nc1)N1CC2COCC(C1)C2Oc1ncnc(Oc2ccc(cc2Cl)C#N)c1C1CC1
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| InChI |
InChI=1S/C25H22ClFN6O3/c26-19-5-14(6-28)1-4-20(19)35-23-21(15-2-3-15)24(32-13-31-23)36-22-16-9-33(10-17(22)12-34-11-16)25-29-7-18(27)8-30-25/h1,4-5,7-8,13,15-17,22H,2-3,9-12H2
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| InChIKey |
MOYURMZDUWAEEL-UHFFFAOYSA-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