General Information of the Compound
| Compound ID |
CP0465314
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| Compound Name |
propan-2-yl 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 |
C24H26FN5O3
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| Molecular Weight |
451.502
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| Canonical SMILES |
CC(C)OC(=O)N1C2CC3CC1CC(C2)N3c1ncnc(Oc2ccc(cc2F)C#N)c1C
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| InChI |
InChI=1S/C24H26FN5O3/c1-13(2)32-24(31)30-18-7-16-8-19(30)10-17(9-18)29(16)22-14(3)23(28-12-27-22)33-21-5-4-15(11-26)6-20(21)25/h4-6,12-13,16-19H,7-10H2,1-3H3
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| InChIKey |
FCMFGXVWZDKFCO-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