General Information of the Compound
| Compound ID |
CP0635085
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| Compound Name |
glaucine methiodide
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| Structure |
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| Formula |
C22H28INO4
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| Molecular Weight |
497.373
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| Canonical SMILES |
COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3.[I-]
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| InChI |
InChI=1S/C22H28NO4.HI/c1-23(2)8-7-13-10-19(26-5)22(27-6)21-15-12-18(25-4)17(24-3)11-14(15)9-16(23)20(13)21;/h10-12,16H,7-9H2,1-6H3;1H/q+1;/p-1/t16-;/m0./s1
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| InChIKey |
JTGJUUGXOWUVQG-NTISSMGPSA-M
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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
Protein ID: PT06109, Geminin
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7