General Information of the Compound
| Compound ID |
CP0569122
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| Compound Name |
US8912224, 111
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| Structure |
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| Formula |
C23H21N3O3S
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| Molecular Weight |
419.506
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| Canonical SMILES |
Cc1cc(NCc2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)on1
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| InChI |
InChI=1S/C23H21N3O3S/c1-15-11-22(29-26-15)24-13-19-14-25-23(30-19)27-18-8-10-21-17(12-18)7-9-20(28-21)16-5-3-2-4-6-16/h2-6,8,10-12,14,20,24H,7,9,13H2,1H3
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| InChIKey |
QKQPZZYKRBKVHC-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