General Information of the Compound
| Compound ID |
CP0539553
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| Compound Name |
US9428456, 1.053
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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 |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3ccncc3)c2)CC1
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| InChI |
InChI=1S/C25H32N4O2/c30-24(20-9-13-26-14-10-20)28-23-8-4-5-19(17-23)18-29-15-11-21(12-16-29)25(31)27-22-6-2-1-3-7-22/h4-5,8-10,13-14,17,21-22H,1-3,6-7,11-12,15-16,18H2,(H,27,31)(H,28,30)
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| InChIKey |
TXTFLIYPDYXIOX-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