General Information of the Compound
| Compound ID |
CP0962017
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| Compound Name |
N-(5-((3-fluorodibenzo[b,e]oxepin-11(6H)-ylidene)methyl)-1-((3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl)-1H-benzo[d]imidazol-2(3H)-ylidene)cyanamide
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| Structure |
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| Formula |
C28H24FN5O2
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| Molecular Weight |
481.531
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| Canonical SMILES |
CN1C[C@H](O)[C@@H](n2/c(=N\C#N)[nH]c3cc(/C=C4\c5ccccc5COc5cc(F)ccc54)ccc32)C1
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| InChI |
InChI=1S/C28H24FN5O2/c1-33-13-25(26(35)14-33)34-24-9-6-17(11-23(24)32-28(34)31-16-30)10-22-20-5-3-2-4-18(20)15-36-27-12-19(29)7-8-21(22)27/h2-12,25-26,35H,13-15H2,1H3,(H,31,32)/b22-10+/t25-,26-/m0/s1
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| InChIKey |
FMRCXWHCSOZFKE-WADMIHMQSA-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