General Information of the Compound
| Compound ID |
CP0554413
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| Compound Name |
US9428456, 2.050
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| Structure |
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| Formula |
C25H32N4O2
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| Molecular Weight |
420.557
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| Canonical SMILES |
CC1CCCN1C(=O)C1CCN(Cc2cccc(NC(=O)c3cncc(C)c3)c2)CC1
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| InChI |
InChI=1S/C25H32N4O2/c1-18-13-22(16-26-15-18)24(30)27-23-7-3-6-20(14-23)17-28-11-8-21(9-12-28)25(31)29-10-4-5-19(29)2/h3,6-7,13-16,19,21H,4-5,8-12,17H2,1-2H3,(H,27,30)
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| InChIKey |
MLDNJWBAASRVGP-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