General Information of the Compound
| Compound ID |
CP0409453
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| Compound Name |
[4-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium
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| Structure |
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| Formula |
C23H27Cl2N2O2+
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| Molecular Weight |
434.387
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| Canonical SMILES |
C[N+](C)(Cc1ccc(NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1
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| InChI |
InChI=1S/C23H26Cl2N2O2/c1-27(2,20-11-13-29-14-12-20)16-18-3-7-19(8-4-18)26-23(28)10-6-17-5-9-21(24)22(25)15-17/h3-10,15,20H,11-14,16H2,1-2H3/p+1/b10-6+
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| InChIKey |
REXASPCPUGEXQH-UXBLZVDNSA-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