General Information of the Compound
| Compound ID |
CP0503781
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| Compound Name |
US8802663, 117
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| Structure |
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| Formula |
C22H26N4O3
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| Molecular Weight |
394.475
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| Canonical SMILES |
OCc1ccc(cc1)-c1noc(n1)-c1cnn(C2CCCCC2)c1C1CCCO1
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| InChI |
InChI=1S/C22H26N4O3/c27-14-15-8-10-16(11-9-15)21-24-22(29-25-21)18-13-23-26(17-5-2-1-3-6-17)20(18)19-7-4-12-28-19/h8-11,13,17,19,27H,1-7,12,14H2
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| InChIKey |
DAJQGDYMHDEACX-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