General Information of the Compound
| Compound ID |
CP0509004
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| Compound Name |
US8889668, I4
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| Structure |
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| Formula |
C20H21N3O2
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| Molecular Weight |
335.407
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| Canonical SMILES |
COc1ccccc1-c1noc(n1)-c1ccc(cc1)N1CCCCC1
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| InChI |
InChI=1S/C20H21N3O2/c1-24-18-8-4-3-7-17(18)19-21-20(25-22-19)15-9-11-16(12-10-15)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-14H2,1H3
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| InChIKey |
PXFVGJGQPOCKCM-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