General Information of the Compound
| Compound ID |
CP0561069
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| Compound Name |
US8637501, 101
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| Structure |
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| Formula |
C25H26N4O
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| Molecular Weight |
398.51
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| Canonical SMILES |
Cn1c2CCNCCc2c2ccc(cc12)-n1ccc(CCc2ccccc2)nc1=O
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| InChI |
InChI=1S/C25H26N4O/c1-28-23-12-15-26-14-11-22(23)21-10-9-20(17-24(21)28)29-16-13-19(27-25(29)30)8-7-18-5-3-2-4-6-18/h2-6,9-10,13,16-17,26H,7-8,11-12,14-15H2,1H3
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| InChIKey |
SADXIMITBAJPQU-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