General Information of the Compound
| Compound ID |
CP0425700
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| Compound Name |
tert-butyl 6-[6-(4-cyano-2-fluorophenoxy)-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 |
C25H28FN5O3
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| Molecular Weight |
465.529
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| Canonical SMILES |
Cc1c(Oc2ccc(cc2F)C#N)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C25H28FN5O3/c1-14-22(28-13-29-23(14)33-21-6-5-15(12-27)7-20(21)26)30-16-8-18-10-17(30)11-19(9-16)31(18)24(32)34-25(2,3)4/h5-7,13,16-19H,8-11H2,1-4H3
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| InChIKey |
QLFSWYDWDAUAJV-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