General Information of the Compound
| Compound ID |
CP0510251
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| Compound Name |
US8846929, 57
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| Structure |
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| Formula |
C25H36N4O3
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| Molecular Weight |
440.588
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| Canonical SMILES |
CCOC(=O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C25H36N4O3/c1-2-32-23(30)18-26-24-25(31)29(22-13-9-8-12-21(22)27-24)20-14-16-28(17-15-20)19-10-6-4-3-5-7-11-19/h8-9,12-13,19-20H,2-7,10-11,14-18H2,1H3,(H,26,27)
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| InChIKey |
HWZJFIXHBSXMRA-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