General Information of the Compound
| Compound ID |
CP0886001
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| Compound Name |
(2S,3S)-2-Benzhydryl-1-carbamoylmethyl-3-(2-methoxy-benzylamino)-1-azonia-bicyclo[2.2.2]octane iodide
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| Structure |
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| Formula |
C30H36IN3O2
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| Molecular Weight |
597.541
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| Canonical SMILES |
COc1ccccc1CN[C@H]1C2CC[N+](CC(N)=O)(CC2)[C@H]1C(c1ccccc1)c1ccccc1.[I-]
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| InChI |
InChI=1S/C30H35N3O2.HI/c1-35-26-15-9-8-14-25(26)20-32-29-24-16-18-33(19-17-24,21-27(31)34)30(29)28(22-10-4-2-5-11-22)23-12-6-3-7-13-23;/h2-15,24,28-30,32H,16-21H2,1H3,(H-,31,34);1H/t24?,29-,30-,33?;/m0./s1
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| InChIKey |
GZKSLNVLIDWYBK-PVOPTJPKSA-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