General Information of the Compound
| Compound ID |
CP0441569
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| Compound Name |
US8912224, 121
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| Structure |
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| Formula |
C25H26N2O2S
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| Molecular Weight |
418.562
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| Canonical SMILES |
C(N1C2CCC1CC2)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C25H26N2O2S/c1-2-4-17(5-3-1)23-12-6-18-14-21(11-13-24(18)29-23)28-25-26-15-22(30-25)16-27-19-7-8-20(27)10-9-19/h1-5,11,13-15,19-20,23H,6-10,12,16H2
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| InChIKey |
SQQIPCBHTQZYCO-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