General Information of the Compound
| Compound ID |
CP0904560
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-((1-phenyl-1H-pyrazol-3-yl)methyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C30H38N3O2+
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| Molecular Weight |
472.653
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(Cc3ccn(-c4ccccc4)n3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1
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| InChI |
InChI=1S/C30H38N3O2/c34-29(30(25-10-6-7-11-25)17-8-1-2-9-18-30)35-28-23-33(20-15-24(28)16-21-33)22-26-14-19-32(31-26)27-12-4-3-5-13-27/h3-7,10,12-14,19,24,28H,1-2,8-9,11,15-18,20-23H2/q+1/t24?,28-,33?/m0/s1
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| InChIKey |
IUDARXCDKYQQGY-RZXUQNCUSA-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