General Information of the Compound
| Compound ID |
CP0194684
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| Compound Name |
(3R)-5-fluoro-3-hydroxy-3-[[4-(1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-ylmethylamino)-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 |
C26H29FN6O3
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| Molecular Weight |
492.555
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| Canonical SMILES |
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3NCCNc3n2)Cn2c3c1c(F)cnc3ccc2=O
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| InChI |
InChI=1S/C26H29FN6O3/c27-17-12-30-18-3-4-20(34)33-14-26(35,21(17)22(18)33)13-25-7-5-24(6-8-25,15-36-25)31-11-16-1-2-19-23(32-16)29-10-9-28-19/h1-4,12,28,31,35H,5-11,13-15H2,(H,29,32)/t24?,25?,26-/m0/s1
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| InChIKey |
AXSUKQYWLBAKTH-WNMGUVTHSA-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