General Information of the Compound
| Compound ID |
CP0504633
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| Compound Name |
N-[[5,7-dimethyl-8-[[(4-nitrobenzoyl)amino]methyl]-2,3-dihydro-1H-indolizin-4-ium-6-yl]methyl]-4-nitrobenzamide;chloride
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| Structure |
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| Formula |
C26H26ClN5O6
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| Molecular Weight |
539.976
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| Canonical SMILES |
[Cl-].Cc1c(CNC(=O)c2ccc(cc2)[N+]([O-])=O)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C26H25N5O6.ClH/c1-16-22(14-27-25(32)18-5-9-20(10-6-18)30(34)35)17(2)29-13-3-4-24(29)23(16)15-28-26(33)19-7-11-21(12-8-19)31(36)37;/h5-12H,3-4,13-15H2,1-2H3,(H-,27,28,32,33);1H
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| InChIKey |
GNCHIFLNTHMBKS-UHFFFAOYSA-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