General Information of the Compound
| Compound ID |
CP0482309
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| Compound Name |
(1-methylcyclobutyl) (1S,5S)-3-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
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| Structure |
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| Formula |
C24H25ClFN5O3
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| Molecular Weight |
485.947
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| Canonical SMILES |
CC1(CCC1)OC(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2Cl)C#N)c1F
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| InChI |
InChI=1S/C24H25ClFN5O3/c1-24(7-2-8-24)34-23(32)31-15-4-5-16(31)11-17(10-15)33-22-20(26)21(28-13-29-22)30-19-6-3-14(12-27)9-18(19)25/h3,6,9,13,15-17H,2,4-5,7-8,10-11H2,1H3,(H,28,29,30)/t15-,16-/m0/s1
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| InChIKey |
PJIXDNGHWQJIAP-HOTGVXAUSA-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