General Information of the Compound
| Compound ID |
CP0517105
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| Compound Name |
US9493474, 7A
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| Structure |
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| Formula |
C25H28N4O4
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| Molecular Weight |
448.523
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2CN(CC(O)c3ccc(cn3)C#N)CC12
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| InChI |
InChI=1S/C25H28N4O4/c1-15-18(3-4-19-20(15)14-33-25(19)32)23(30)13-29-7-6-17-10-28(11-22(17)29)12-24(31)21-5-2-16(8-26)9-27-21/h2-5,9,17,22-24,30-31H,6-7,10-14H2,1H3/t17?,22?,23-,24?/m0/s1
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| InChIKey |
HQKUWDOFTJGRFY-GNVNLSDTSA-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