General Information of the Compound
| Compound ID |
CP0374705
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| Compound Name |
ethyl 17-methoxy-6,7,7-trimethyl-12-oxa-1-aza-7-azoniapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate;iodide
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| Structure |
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| Formula |
C25H29IN2O4
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| Molecular Weight |
548.421
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| Canonical SMILES |
[I-].CCOC(=O)C1=C(C)[N+](C)(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
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| InChI |
InChI=1S/C25H29N2O4.HI/c1-6-30-25(28)22-15(2)27(3,4)20-9-10-21-19(23(20)22)14-26-12-11-16-13-17(29-5)7-8-18(16)24(26)31-21;/h7-10,13,24H,6,11-12,14H2,1-5H3;1H/q+1;/p-1
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| InChIKey |
KEULHYWQKUQHOL-UHFFFAOYSA-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