General Information of the Compound
| Compound ID |
CP0445411
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| Compound Name |
dimethyl-[[4-[[(E)-3-[4-(4-methylphenyl)phenyl]prop-2-enoyl]amino]phenyl]methyl]-(oxan-4-yl)azanium
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| Structure |
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| Formula |
C30H35N2O2+
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| Molecular Weight |
455.622
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| Canonical SMILES |
Cc1ccc(cc1)-c1ccc(\C=C\C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)cc1
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| InChI |
InChI=1S/C30H34N2O2/c1-23-4-11-26(12-5-23)27-13-6-24(7-14-27)10-17-30(33)31-28-15-8-25(9-16-28)22-32(2,3)29-18-20-34-21-19-29/h4-17,29H,18-22H2,1-3H3/p+1/b17-10+
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| InChIKey |
URKNLZLJINOYBX-LICLKQGHSA-O
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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