General Information of the Compound
| Compound ID |
CP0860995
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-(3-(1-methyl-1H-pyrazol-3-yl)propyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C27H40N3O2+
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| Molecular Weight |
438.636
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| Canonical SMILES |
Cn1ccc(CCC[N+]23CCC(CC2)[C@@H](OC(=O)C2(C4=CC=CC4)CCCCCC2)C3)n1
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| InChI |
InChI=1S/C27H40N3O2/c1-29-17-12-24(28-29)11-8-18-30-19-13-22(14-20-30)25(21-30)32-26(31)27(23-9-4-5-10-23)15-6-2-3-7-16-27/h4-5,9,12,17,22,25H,2-3,6-8,10-11,13-16,18-21H2,1H3/q+1/t22?,25-,30?/m0/s1
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| InChIKey |
LUOBQRVUQRDMPE-DZHMJCDGSA-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