General Information of the Compound
| Compound ID |
CP0573879
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| Compound Name |
N-[[5,7-dimethyl-8-[[(4-methylsulfanylbenzoyl)amino]methyl]-2,3-dihydro-1H-indolizin-4-ium-6-yl]methyl]-4-methylsulfanylbenzamide;chloride
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| Structure |
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| Formula |
C28H32ClN3O2S2
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| Molecular Weight |
542.17
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| Canonical SMILES |
[Cl-].CSc1ccc(cc1)C(=O)NCc1c2CCC[n+]2c(C)c(CNC(=O)c2ccc(SC)cc2)c1C
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| InChI |
InChI=1S/C28H31N3O2S2.ClH/c1-18-24(16-29-27(32)20-7-11-22(34-3)12-8-20)19(2)31-15-5-6-26(31)25(18)17-30-28(33)21-9-13-23(35-4)14-10-21;/h7-14H,5-6,15-17H2,1-4H3,(H-,29,30,32,33);1H
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| InChIKey |
KDQWIIKQMXSILQ-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