General Information of the Compound
| Compound ID |
CP0503747
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| Compound Name |
US8846929, 64
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| Structure |
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| Formula |
C25H33N5O2
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| Molecular Weight |
435.572
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| Canonical SMILES |
NC(=O)CNc1nc2ccccc2n(C2CCN(CC2)C23CC4CC(CC(C4)C2)C3)c1=O
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| InChI |
InChI=1S/C25H33N5O2/c26-22(31)15-27-23-24(32)30(21-4-2-1-3-20(21)28-23)19-5-7-29(8-6-19)25-12-16-9-17(13-25)11-18(10-16)14-25/h1-4,16-19H,5-15H2,(H2,26,31)(H,27,28)
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| InChIKey |
VOPLHLUFDWBHEC-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