General Information of the Compound
Compound ID |
CP0503756
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Compound Name |
US8846929, 54
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Structure |
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Formula |
C24H36N4O3
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Molecular Weight |
428.577
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Canonical SMILES |
OC[C@H](O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
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InChI |
InChI=1S/C24H36N4O3/c29-17-20(30)16-25-23-24(31)28(22-11-7-6-10-21(22)26-23)19-12-14-27(15-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-20,29-30H,1-5,8-9,12-17H2,(H,25,26)/t20-/m1/s1
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InChIKey |
GGHWXCOOJVZLNV-HXUWFJFHSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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