General Information of the Compound
| Compound ID |
CP0544091
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| Compound Name |
US8912224, 108
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| Structure |
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| Formula |
C27H30N2O2S
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| Molecular Weight |
446.616
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| Canonical SMILES |
C(N1CC2CCC(CC2)C1)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C27H30N2O2S/c1-2-4-21(5-3-1)25-12-10-22-14-23(11-13-26(22)31-25)30-27-28-15-24(32-27)18-29-16-19-6-7-20(17-29)9-8-19/h1-5,11,13-15,19-20,25H,6-10,12,16-18H2
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| InChIKey |
USSYNOMXGPHSRR-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