General Information of the Compound
| Compound ID |
CP0510005
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| Compound Name |
2-ethoxycarbonyl-N-methyl-3-phenyl-6-(4-phenylbutoxy)inden-1-imine oxide
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| Structure |
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| Formula |
C29H29NO4
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| Molecular Weight |
455.554
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| Canonical SMILES |
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCCCc3ccccc3)cc2[c-]1[N+](C)=O
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| InChI |
InChI=1S/C29H29NO4/c1-3-33-29(31)27-26(22-15-8-5-9-16-22)24-18-17-23(20-25(24)28(27)30(2)32)34-19-11-10-14-21-12-6-4-7-13-21/h4-9,12-13,15-18,20H,3,10-11,14,19H2,1-2H3/b30-28+
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| InChIKey |
ICVLCCAYGDMLCQ-SJCQXOIGSA-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