General Information of the Compound
| Compound ID |
CP0060990
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| Compound Name |
MLS000733369
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| Structure |
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| Formula |
C22H25N3O3
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| Molecular Weight |
379.46
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| Canonical SMILES |
O=C(NC1CCCCCCC1)c1cc(COc2ccc3ncccc3c2)on1
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| InChI |
InChI=1S/C22H25N3O3/c26-22(24-17-8-4-2-1-3-5-9-17)21-14-19(28-25-21)15-27-18-10-11-20-16(13-18)7-6-12-23-20/h6-7,10-14,17H,1-5,8-9,15H2,(H,24,26)
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| InChIKey |
CUYIDLFZPOFPFS-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