General Information of the Compound
| Compound ID |
CP0500214
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| Compound Name |
US8772323, 148
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| Structure |
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| Formula |
C26H30N4O3
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| Molecular Weight |
446.551
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN2CCCCC2)c1
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| InChI |
InChI=1S/C26H30N4O3/c1-2-18-17-24(31)28-29-25(18)19-9-10-22-23(16-19)33-26(27-22)20-7-6-8-21(15-20)32-14-13-30-11-4-3-5-12-30/h6-10,15-16,18H,2-5,11-14,17H2,1H3,(H,28,31)
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| InChIKey |
LYMUNCUKUUZJOJ-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