General Information of the Compound
| Compound ID |
CP0406104
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| Compound Name |
3-chloro-4-[[6-[(7-cyclopropylsulfonyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-yl)oxy]-5-methylpyrimidin-4-yl]amino]benzonitrile
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| Structure |
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| Formula |
C22H24ClN5O4S
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| Molecular Weight |
489.985
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| Canonical SMILES |
Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)S(=O)(=O)C1CC1
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| InChI |
InChI=1S/C22H24ClN5O4S/c1-13-21(27-19-5-2-14(7-24)6-18(19)23)25-12-26-22(13)32-20-15-8-28(9-16(20)11-31-10-15)33(29,30)17-3-4-17/h2,5-6,12,15-17,20H,3-4,8-11H2,1H3,(H,25,26,27)
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| InChIKey |
YVVXUESAUMDUNI-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