General Information of the Compound
| Compound ID |
CP0532848
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| Compound Name |
(1-methylcyclobutyl) 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 |
C24H25ClFN5O4
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| Molecular Weight |
501.946
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| Canonical SMILES |
CC1(CCC1)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Nc2ccc(cc2Cl)C#N)c1F
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| InChI |
InChI=1S/C24H25ClFN5O4/c1-24(5-2-6-24)35-23(32)31-9-15-11-33-12-16(10-31)20(15)34-22-19(26)21(28-13-29-22)30-18-4-3-14(8-27)7-17(18)25/h3-4,7,13,15-16,20H,2,5-6,9-12H2,1H3,(H,28,29,30)
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| InChIKey |
TXQNJYZTOAHJHZ-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