General Information of the Compound
| Compound ID |
CP0443704
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| Compound Name |
US8846929, 46
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| Structure |
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| Formula |
C25H36N4O4
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| Molecular Weight |
456.587
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| Canonical SMILES |
COC(=O)C(CO)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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| InChI |
InChI=1S/C25H36N4O4/c1-33-25(32)21(17-30)27-23-24(31)29(22-12-8-7-11-20(22)26-23)19-13-15-28(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,18-19,21,30H,2-6,9-10,13-17H2,1H3,(H,26,27)
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| InChIKey |
IOKIACFLHBXLNT-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