General Information of the Compound
| Compound ID |
CP0457612
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| Compound Name |
[5-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]cyanamide
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| Structure |
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| Formula |
C28H25FN6O
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| Molecular Weight |
480.547
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| Canonical SMILES |
CN1CCN(CC1)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=NC#N
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| InChI |
InChI=1S/C28H25FN6O/c1-33-10-12-34(13-11-33)35-26-9-6-19(15-25(26)32-28(35)31-18-30)14-24-22-5-3-2-4-20(22)17-36-27-16-21(29)7-8-23(24)27/h2-9,14-16H,10-13,17H2,1H3,(H,31,32)/b24-14+
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| InChIKey |
LOUAKMSOBRCDOQ-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