General Information of the Compound
| Compound ID |
CP0537087
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| Compound Name |
US8912224, 185
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| Structure |
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| Formula |
C25H24N2O5S
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| Molecular Weight |
464.543
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| Canonical SMILES |
COC(=O)[C@@H]1CCCN1C(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C25H24N2O5S/c1-30-24(29)19-8-5-13-27(19)23(28)22-15-26-25(33-22)31-18-10-12-21-17(14-18)9-11-20(32-21)16-6-3-2-4-7-16/h2-4,6-7,10,12,14-15,19-20H,5,8-9,11,13H2,1H3/t19-,20-/m0/s1
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| InChIKey |
SCVCFUQDMCXLCV-PMACEKPBSA-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