General Information of the Compound
| Compound ID |
CP0512338
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| Compound Name |
US9314468, Table 8, Compound 7
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| Structure |
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| Formula |
C27H30IN5O2
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| Molecular Weight |
583.474
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| Canonical SMILES |
NCCCCN(Cc1nccc2c3ccccc3n(CC(=O)[I]=O)c12)C1CCCc2cccnc12
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| InChI |
InChI=1S/C27H30IN5O2/c29-13-3-4-16-32(24-11-5-7-19-8-6-14-31-26(19)24)17-22-27-21(12-15-30-22)20-9-1-2-10-23(20)33(27)18-25(34)28-35/h1-2,6,8-10,12,14-15,24H,3-5,7,11,13,16-18,29H2
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| InChIKey |
MNAZTJAVYQATRR-UHFFFAOYSA-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