General Information of the Compound
| Compound ID |
CP0531469
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| Compound Name |
US9428456, 4.013
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| Structure |
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| Formula |
C25H32N4O3
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| Molecular Weight |
436.556
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| Canonical SMILES |
COc1cncc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCC2)c1
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| InChI |
InChI=1S/C25H32N4O3/c1-32-23-14-20(15-26-16-23)25(31)28-22-8-4-5-18(13-22)17-29-11-9-19(10-12-29)24(30)27-21-6-2-3-7-21/h4-5,8,13-16,19,21H,2-3,6-7,9-12,17H2,1H3,(H,27,30)(H,28,31)
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| InChIKey |
DTOUKIPSJJKZFU-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