General Information of the Compound
| Compound ID |
CP0067026
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| Compound Name |
3-[(7R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1H-benzimidazol-2-one
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| Structure |
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| Formula |
C29H26FN3O3
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| Molecular Weight |
483.543
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| Canonical SMILES |
Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3n([C@@H]4C[C@@H]5COCCN5C4)c(=O)[nH]c3c2)c1
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| InChI |
InChI=1S/C29H26FN3O3/c30-20-6-7-24-25(23-4-2-1-3-19(23)16-36-28(24)13-20)11-18-5-8-27-26(12-18)31-29(34)33(27)21-14-22-17-35-10-9-32(22)15-21/h1-8,11-13,21-22H,9-10,14-17H2,(H,31,34)/b25-11+/t21-,22-/m1/s1
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| InChIKey |
CZHIJMGMBQCQDA-ISGJEAITSA-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