General Information of the Compound
| Compound ID |
CP0546528
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| Compound Name |
(3R)-3-[[4-[(1,4-dimethyl-2,3-dihydropyrido[2,3-b]pyrazin-6-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]methyl]-5-fluoro-3-hydroxy-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 |
C28H33FN6O3
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| Molecular Weight |
520.609
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| Canonical SMILES |
CN1CCN(C)c2nc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)ccc12
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| InChI |
InChI=1S/C28H33FN6O3/c1-33-11-12-34(2)25-21(33)5-3-18(32-25)13-31-26-7-9-27(10-8-26,38-17-26)15-28(37)16-35-22(36)6-4-20-24(35)23(28)19(29)14-30-20/h3-6,14,31,37H,7-13,15-17H2,1-2H3/t26?,27?,28-/m0/s1
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| InChIKey |
GGCURDKWNJTQOD-LADMEODRSA-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