General Information of the Compound
| Compound ID |
CP0532859
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| Compound Name |
[1-(methoxymethyl)cyclopropyl] 9-[6-(4-cyano-2-fluoroanilino)-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 |
C24H25F2N5O5
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| Molecular Weight |
501.49
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| Canonical SMILES |
COCC1(CC1)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Nc2ccc(cc2F)C#N)c1F
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| InChI |
InChI=1S/C24H25F2N5O5/c1-33-12-24(4-5-24)36-23(32)31-8-15-10-34-11-16(9-31)20(15)35-22-19(26)21(28-13-29-22)30-18-3-2-14(7-27)6-17(18)25/h2-3,6,13,15-16,20H,4-5,8-12H2,1H3,(H,28,29,30)
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| InChIKey |
HDDOXVXNFSJFDS-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