General Information of the Compound
| Compound ID |
CP0035289
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| Compound Name |
CHEMBL393517
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| Formula |
C24H23N5O2
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| Molecular Weight |
413.481
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| Canonical SMILES |
NC(=O)[C@H]1C[C@@H](C1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12
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| InChI |
InChI=1S/C24H23N5O2/c25-22-21-20(16-7-4-8-19(13-16)31-14-15-5-2-1-3-6-15)28-24(29(21)10-9-27-22)18-11-17(12-18)23(26)30/h1-10,13,17-18H,11-12,14H2,(H2,25,27)(H2,26,30)/t17-,18-
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| InChIKey |
RRIWPQTVSGGHDS-IYARVYRRSA-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