General Information of the Compound
| Compound ID |
CP0573877
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| Compound Name |
N-[[5,7-dimethyl-8-[[(4-propan-2-ylbenzoyl)amino]methyl]-2,3-dihydro-1H-indolizin-4-ium-6-yl]methyl]-4-propan-2-ylbenzamide;chloride
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| Structure |
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| Formula |
C32H40ClN3O2
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| Molecular Weight |
534.144
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| Canonical SMILES |
[Cl-].CC(C)c1ccc(cc1)C(=O)NCc1c2CCC[n+]2c(C)c(CNC(=O)c2ccc(cc2)C(C)C)c1C
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| InChI |
InChI=1S/C32H39N3O2.ClH/c1-20(2)24-9-13-26(14-10-24)31(36)33-18-28-22(5)29(30-8-7-17-35(30)23(28)6)19-34-32(37)27-15-11-25(12-16-27)21(3)4;/h9-16,20-21H,7-8,17-19H2,1-6H3,(H-,33,34,36,37);1H
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| InChIKey |
FEKRPEQQKJDIJG-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