General Information of the Compound
| Compound ID |
CP0861012
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-(2-(6-methylpyrimidin-4-ylamino)-2-oxoethyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C27H37N4O3+
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| Molecular Weight |
465.618
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| Canonical SMILES |
Cc1cc(NC(=O)C[N+]23CCC(CC2)[C@@H](OC(=O)C2(C4=CC=CC4)CCCCCC2)C3)ncn1
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| InChI |
InChI=1S/C27H36N4O3/c1-20-16-24(29-19-28-20)30-25(32)18-31-14-10-21(11-15-31)23(17-31)34-26(33)27(22-8-4-5-9-22)12-6-2-3-7-13-27/h4-5,8,16,19,21,23H,2-3,6-7,9-15,17-18H2,1H3/p+1/t21?,23-,31?/m0/s1
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| InChIKey |
FNMHYIRJZOVBNE-HBUOLCFLSA-O
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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