General Information of the Compound
| Compound ID |
CP0551067
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| Compound Name |
US8912224, 165
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| Structure |
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| Formula |
C25H25N3O4S
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| Molecular Weight |
463.559
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| Canonical SMILES |
O=C(CN1CCCC1=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C25H25N3O4S/c29-23(16-28-12-4-7-24(28)30)26-14-20-15-27-25(33-20)31-19-9-11-22-18(13-19)8-10-21(32-22)17-5-2-1-3-6-17/h1-3,5-6,9,11,13,15,21H,4,7-8,10,12,14,16H2,(H,26,29)
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| InChIKey |
NBDCVIITWDMRNO-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