General Information of the Compound
| Compound ID |
CP0574387
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| Compound Name |
4-tert-butyl-N-[[8-[[(4-tert-butylbenzoyl)amino]methyl]-5,7-dimethyl-2,3-dihydro-1H-indolizin-4-ium-6-yl]methyl]benzamide;chloride
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| Structure |
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| Formula |
C34H44ClN3O2
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| Molecular Weight |
562.198
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| Canonical SMILES |
[Cl-].Cc1c(CNC(=O)c2ccc(cc2)C(C)(C)C)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C34H43N3O2.ClH/c1-22-28(20-35-31(38)24-11-15-26(16-12-24)33(3,4)5)23(2)37-19-9-10-30(37)29(22)21-36-32(39)25-13-17-27(18-14-25)34(6,7)8;/h11-18H,9-10,19-21H2,1-8H3,(H-,35,36,38,39);1H
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| InChIKey |
SDERWQYXWDSXGD-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