General Information of the Compound
| Compound ID |
CP0429559
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| Compound Name |
[5-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1-[(2R)-1-morpholin-4-ylpropan-2-yl]benzimidazol-2-yl]cyanamide
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| Structure |
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| Formula |
C30H28FN5O2
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| Molecular Weight |
509.585
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| Canonical SMILES |
C[C@H](CN1CCOCC1)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=NC#N
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| InChI |
InChI=1S/C30H28FN5O2/c1-20(17-35-10-12-37-13-11-35)36-28-9-6-21(15-27(28)34-30(36)33-19-32)14-26-24-5-3-2-4-22(24)18-38-29-16-23(31)7-8-25(26)29/h2-9,14-16,20H,10-13,17-18H2,1H3,(H,33,34)/b26-14+/t20-/m1/s1
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| InChIKey |
WGQWOKFBEZMDRZ-RAQUAXEKSA-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