General Information of the Compound
| Compound ID |
CP0956566
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| Compound Name |
(R)-1-(2-(5-tert-butylisoxazol-3-ylamino)-2-oxoethyl)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C29H42N3O4+
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| Molecular Weight |
496.672
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)C[N+]23CCC(CC2)[C@@H](OC(=O)C2(C4=CC=CC4)CCCCCC2)C3)no1
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| InChI |
InChI=1S/C29H41N3O4/c1-28(2,3)24-18-25(31-36-24)30-26(33)20-32-16-12-21(13-17-32)23(19-32)35-27(34)29(22-10-6-7-11-22)14-8-4-5-9-15-29/h6-7,10,18,21,23H,4-5,8-9,11-17,19-20H2,1-3H3/p+1/t21?,23-,32?/m0/s1
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| InChIKey |
OCLIXQDGMSAKMJ-HJODHZIISA-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