General Information of the Compound
| Compound ID |
CP0854724
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| Compound Name |
N-(5-((3,7-difluorodibenzo[b,e]oxepin-11(6H)-ylidene)methyl)-1-((R)-1-morpholinopropan-2-yl)-1H-benzo[d]imidazol-2(3H)-ylidene)cyanamide
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| Structure |
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| Formula |
C30H27F2N5O2
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| Molecular Weight |
527.575
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| Canonical SMILES |
C[C@H](CN1CCOCC1)n1/c(=N\C#N)[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc21
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| InChI |
InChI=1S/C30H27F2N5O2/c1-19(16-36-9-11-38-12-10-36)37-28-8-5-20(14-27(28)35-30(37)34-18-33)13-24-22-3-2-4-26(32)25(22)17-39-29-15-21(31)6-7-23(24)29/h2-8,13-15,19H,9-12,16-17H2,1H3,(H,34,35)/b24-13+/t19-/m1/s1
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| InChIKey |
UGJBOQWJBNYSSP-NZYROCMPSA-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