General Information of the Compound
| Compound ID |
CP0413222
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| Compound Name |
US9428456, 1.007
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| Structure |
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| Formula |
C30H35N3O2
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| Molecular Weight |
469.629
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| Canonical SMILES |
O=C(NC1CCCCC1)C1CCN(Cc2cccc(NC(=O)c3ccc4ccccc4c3)c2)CC1
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| InChI |
InChI=1S/C30H35N3O2/c34-29(31-27-10-2-1-3-11-27)24-15-17-33(18-16-24)21-22-7-6-12-28(19-22)32-30(35)26-14-13-23-8-4-5-9-25(23)20-26/h4-9,12-14,19-20,24,27H,1-3,10-11,15-18,21H2,(H,31,34)(H,32,35)
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| InChIKey |
AMCJIVLDCCMEHT-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