General Information of the Compound
| Compound ID |
CP0389676
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| Compound Name |
(3-methyloxetan-3-yl)methyl 9-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
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| Structure |
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| Formula |
C24H25ClFN5O5
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| Molecular Weight |
517.945
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| Canonical SMILES |
CC1(COC(=O)N2CC3COCC(C2)C3Oc2ncnc(Nc3ccc(cc3Cl)C#N)c2F)COC1
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| InChI |
InChI=1S/C24H25ClFN5O5/c1-24(10-34-11-24)12-35-23(32)31-6-15-8-33-9-16(7-31)20(15)36-22-19(26)21(28-13-29-22)30-18-3-2-14(5-27)4-17(18)25/h2-4,13,15-16,20H,6-12H2,1H3,(H,28,29,30)
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| InChIKey |
FUXIVIFJGPXPMO-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