General Information of the Compound
| Compound ID |
CP0526014
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| Compound Name |
(E)-N-[2-(dimethylamino)ethyl]-3-phenyl-N-[[6-[4-[(2-phenylethylamino)methyl]phenyl]pyridin-3-yl]methyl]prop-2-enamide
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| Structure |
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| Formula |
C34H38N4O
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| Molecular Weight |
518.705
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| Canonical SMILES |
CN(C)CCN(Cc1ccc(nc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)\C=C\c1ccccc1
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| InChI |
InChI=1S/C34H38N4O/c1-37(2)23-24-38(34(39)20-16-28-9-5-3-6-10-28)27-31-15-19-33(36-26-31)32-17-13-30(14-18-32)25-35-22-21-29-11-7-4-8-12-29/h3-20,26,35H,21-25,27H2,1-2H3/b20-16+
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| InChIKey |
CAHJBZZIWHFJHP-CAPFRKAQSA-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