General Information of the Compound
| Compound ID |
CP0503840
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| Compound Name |
US8772323, 61
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| Structure |
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| Formula |
C26H28N4O4
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| Molecular Weight |
460.534
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCC(=O)N2CCCCC2)cc1
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| InChI |
InChI=1S/C26H28N4O4/c1-2-17-15-23(31)28-29-25(17)19-8-11-21-22(14-19)34-26(27-21)18-6-9-20(10-7-18)33-16-24(32)30-12-4-3-5-13-30/h6-11,14,17H,2-5,12-13,15-16H2,1H3,(H,28,31)
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| InChIKey |
VAULHWNEMXLJDR-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