General Information of the Compound
| Compound ID |
CP0391624
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| Compound Name |
3-[(1E)-1-[8-[(2-cyclopropylthieno[3,4-d]imidazol-3-yl)methyl]-3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4H-1,2,4-oxadiazol-5-one
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| Structure |
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| Formula |
C27H21FN4O3S
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| Molecular Weight |
500.555
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| Canonical SMILES |
C\C(c1noc(=O)[nH]1)=C1\c2ccc(Cn3c(nc4cscc34)C3CC3)cc2COc2cc(F)ccc12
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| InChI |
InChI=1S/C27H21FN4O3S/c1-14(25-30-27(33)35-31-25)24-19-6-2-15(8-17(19)11-34-23-9-18(28)5-7-20(23)24)10-32-22-13-36-12-21(22)29-26(32)16-3-4-16/h2,5-9,12-13,16H,3-4,10-11H2,1H3,(H,30,31,33)/b24-14+
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| InChIKey |
ZEOQBVHXTQSRRD-ZVHZXABRSA-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