General Information of the Compound
| Compound ID |
CP0548166
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| Compound Name |
(E)-3-(3-fluorophenyl)-1-[9-[[(2R)-oxan-2-yl]methoxy]-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]prop-2-en-1-one
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| Formula |
C29H29FN2O4
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| Molecular Weight |
488.559
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| Canonical SMILES |
Fc1cccc(\C=C\C(=O)N2CCOc3c(C2)cc(cc3OC[C@H]2CCCCO2)-c2cccnc2)c1
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| InChI |
InChI=1S/C29H29FN2O4/c30-25-7-3-5-21(15-25)9-10-28(33)32-12-14-35-29-24(19-32)16-23(22-6-4-11-31-18-22)17-27(29)36-20-26-8-1-2-13-34-26/h3-7,9-11,15-18,26H,1-2,8,12-14,19-20H2/b10-9+/t26-/m1/s1
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| InChIKey |
MIEKMBXYJOVXKP-ZMXFDXOUSA-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