General Information of the Compound
| Compound ID |
CP0479337
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| Compound Name |
US9133168, Example 20d
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| Structure |
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| Formula |
C25H34N6O3
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| Molecular Weight |
466.586
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| Canonical SMILES |
CN1CCN(Cc2cccc3N(CCc23)C(=O)Cc2nc(cc(=O)n2C)N2CCOCC2)CC1
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| InChI |
InChI=1S/C25H34N6O3/c1-27-8-10-29(11-9-27)18-19-4-3-5-21-20(19)6-7-31(21)25(33)16-22-26-23(17-24(32)28(22)2)30-12-14-34-15-13-30/h3-5,17H,6-16,18H2,1-2H3
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| InChIKey |
JNSRUSZQLFFYSD-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