General Information of the Compound
| Compound ID |
CP0463213
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| Compound Name |
(3R)-3-[[4-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-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 |
C27H27ClFN3O5
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| Molecular Weight |
527.98
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| Canonical SMILES |
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCOc3cc2Cl)Cn2c3c1c(F)cnc3ccc2=O
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| InChI |
InChI=1S/C27H27ClFN3O5/c28-17-10-21-20(35-7-8-36-21)9-16(17)11-31-25-3-5-26(6-4-25,37-15-25)13-27(34)14-32-22(33)2-1-19-24(32)23(27)18(29)12-30-19/h1-2,9-10,12,31,34H,3-8,11,13-15H2/t25?,26?,27-/m0/s1
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| InChIKey |
VWMYFTURQNFNQO-RCSZBHJWSA-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