General Information of the Compound
| Compound ID |
CP0389695
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| Compound Name |
(1-methylcyclopropyl) 9-[6-[(2-chloropyridin-3-yl)amino]-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 |
C21H23ClFN5O4
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| Molecular Weight |
463.897
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| Canonical SMILES |
CC1(CC1)OC(=O)N1CC2COCC(C1)C2Oc1ncnc(Nc2cccnc2Cl)c1F
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| InChI |
InChI=1S/C21H23ClFN5O4/c1-21(4-5-21)32-20(29)28-7-12-9-30-10-13(8-28)16(12)31-19-15(23)18(25-11-26-19)27-14-3-2-6-24-17(14)22/h2-3,6,11-13,16H,4-5,7-10H2,1H3,(H,25,26,27)
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| InChIKey |
ZVFCURJQEVIHRN-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