General Information of the Compound
| Compound ID |
CP0471425
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| Compound Name |
dimethyl-(oxan-4-yl)-[[4-[[(E)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]prop-2-enoyl]amino]phenyl]methyl]azanium
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| Structure |
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| Formula |
C30H32F3N2O2+
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| Molecular Weight |
509.592
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| Canonical SMILES |
C[N+](C)(Cc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cc1)C1CCOCC1
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| InChI |
InChI=1S/C30H31F3N2O2/c1-35(2,28-17-19-37-20-18-28)21-23-5-14-27(15-6-23)34-29(36)16-7-22-3-8-24(9-4-22)25-10-12-26(13-11-25)30(31,32)33/h3-16,28H,17-21H2,1-2H3/p+1/b16-7+
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| InChIKey |
NLDVDIXLYWOKRA-FRKPEAEDSA-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