General Information of the Compound
| Compound ID |
CP0449176
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| Compound Name |
propan-2-yl 6-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
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| Structure |
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| Formula |
C24H29FN4O5S
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| Molecular Weight |
504.584
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| Canonical SMILES |
CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2F)S(C)(=O)=O)c1C
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| InChI |
InChI=1S/C24H29FN4O5S/c1-13(2)33-24(30)29-17-7-15-8-18(29)10-16(9-17)28(15)22-14(3)23(27-12-26-22)34-21-6-5-19(11-20(21)25)35(4,31)32/h5-6,11-13,15-18H,7-10H2,1-4H3
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| InChIKey |
NFRPMJYMEAPYRC-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