General Information of the Compound
| Compound ID |
CP0559169
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| Compound Name |
US9428456, 2.057
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| Structure |
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| Formula |
C25H34N4O2
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| Molecular Weight |
422.573
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| Canonical SMILES |
CC(C)CN(C)C(=O)C1CCN(Cc2cccc(NC(=O)c3cncc(C)c3)c2)CC1
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| InChI |
InChI=1S/C25H34N4O2/c1-18(2)16-28(4)25(31)21-8-10-29(11-9-21)17-20-6-5-7-23(13-20)27-24(30)22-12-19(3)14-26-15-22/h5-7,12-15,18,21H,8-11,16-17H2,1-4H3,(H,27,30)
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| InChIKey |
RQTJGAXWPGPCQV-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