General Information of the Compound
| Compound ID |
CP0637191
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| Compound Name |
predicentrine methiodide
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| Synonyms |
Predicentrine methiodide
predicentrine methiodide
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| Structure |
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| Formula |
C21H26INO4
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| Molecular Weight |
483.346
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| Canonical SMILES |
COc1cc2c(cc1OC)-c1c(OC)c(O)cc3c1[C@H](C2)[N+](C)(C)CC3.[I-]
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| InChI |
InChI=1S/C21H25NO4.HI/c1-22(2)7-6-12-9-16(23)21(26-5)20-14-11-18(25-4)17(24-3)10-13(14)8-15(22)19(12)20;/h9-11,15H,6-8H2,1-5H3;1H/t15-;/m0./s1
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| InChIKey |
FAVKNAGZQSEXNM-RSAXXLAASA-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
Clinical Information about the Compound