General Information of the Compound
| Compound ID |
CP0432086
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| Compound Name |
(E)-3-[4-(1-methylbenzimidazol-5-yl)pyridin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H27N5O2
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| Molecular Weight |
453.546
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| Canonical SMILES |
Cn1cnc2cc(ccc12)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C27H27N5O2/c1-31-19-29-25-16-21(4-8-26(25)31)24-10-11-28-17-22(24)5-9-27(33)30-23-6-2-20(3-7-23)18-32-12-14-34-15-13-32/h2-11,16-17,19H,12-15,18H2,1H3,(H,30,33)/b9-5+
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| InChIKey |
JABPAJZAVOREHB-WEVVVXLNSA-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