General Information of the Compound
| Compound ID |
CP0474825
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| Compound Name |
4-cyclohexyl-N-[[8-[[(4-cyclohexylbenzoyl)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 |
C38H48ClN3O2
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| Molecular Weight |
614.274
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| Canonical SMILES |
[Cl-].Cc1c(CNC(=O)c2ccc(cc2)C2CCCCC2)c2CCC[n+]2c(C)c1CNC(=O)c1ccc(cc1)C1CCCCC1
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| InChI |
InChI=1S/C38H47N3O2.ClH/c1-26-34(24-39-37(42)32-19-15-30(16-20-32)28-10-5-3-6-11-28)27(2)41-23-9-14-36(41)35(26)25-40-38(43)33-21-17-31(18-22-33)29-12-7-4-8-13-29;/h15-22,28-29H,3-14,23-25H2,1-2H3,(H-,39,40,42,43);1H
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| InChIKey |
QVWXJSGKTZHBQC-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