General Information of the Compound
| Compound ID |
CP0557763
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| Compound Name |
US8772323, 154
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| Structure |
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| Formula |
C27H34N4O3
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| Molecular Weight |
462.594
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(OCCN(C(C)C)C(C)C)c1
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| InChI |
InChI=1S/C27H34N4O3/c1-6-19-16-25(32)29-30-26(19)20-10-11-23-24(15-20)34-27(28-23)21-8-7-9-22(14-21)33-13-12-31(17(2)3)18(4)5/h7-11,14-15,17-19H,6,12-13,16H2,1-5H3,(H,29,32)
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| InChIKey |
LPVRPHLCDIZAAM-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