General Information of the Compound
| Compound ID |
CP0286018
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| Compound Name |
(3R)-5-fluoro-3-hydroxy-3-[[4-[(2-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]methyl]-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
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| Structure |
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| Formula |
C27H29FN4O5
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| Molecular Weight |
508.55
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| Canonical SMILES |
CC1COc2cnc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)cc2O1
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| InChI |
InChI=1S/C27H29FN4O5/c1-16-12-35-21-11-29-17(8-20(21)37-16)9-31-25-4-6-26(7-5-25,36-15-25)13-27(34)14-32-22(33)3-2-19-24(32)23(27)18(28)10-30-19/h2-3,8,10-11,16,31,34H,4-7,9,12-15H2,1H3/t16?,25?,26?,27-/m0/s1
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| InChIKey |
ANNCJARORUUTDG-WOTISWJISA-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