General Information of the Compound
| Compound ID |
CP0572552
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| Compound Name |
US8772323, 73
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCC2CCNCC2)c1
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| InChI |
InChI=1S/C24H26N4O3/c1-15-11-22(29)27-28-23(15)17-5-6-20-21(13-17)31-24(26-20)18-3-2-4-19(12-18)30-14-16-7-9-25-10-8-16/h2-6,12-13,15-16,25H,7-11,14H2,1H3,(H,27,29)
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| InChIKey |
XFSARQRQDASLQS-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