General Information of the Compound
| Compound ID |
CP0379090
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| Compound Name |
N,N-dimethyl-2-[4-[(Z)-1-[4-[(4-nitrophenyl)methoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethanamine
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| Structure |
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| Formula |
C33H34N2O4
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| Molecular Weight |
522.645
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| Canonical SMILES |
CC\C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C33H34N2O4/c1-4-32(26-8-6-5-7-9-26)33(27-12-18-30(19-13-27)38-23-22-34(2)3)28-14-20-31(21-15-28)39-24-25-10-16-29(17-11-25)35(36)37/h5-21H,4,22-24H2,1-3H3/b33-32+
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| InChIKey |
OFQJHBJQVMZGHX-ULIFNZDWSA-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