General Information of the Compound
| Compound ID |
CP0474468
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| Compound Name |
US8912224, 29
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| Structure |
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| Formula |
C27H26N4O3S
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| Molecular Weight |
486.597
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| Canonical SMILES |
CN(C)c1cc(CNC(=O)c2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)ccn1
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| InChI |
InChI=1S/C27H26N4O3S/c1-31(2)25-14-18(12-13-28-25)16-29-26(32)24-17-30-27(35-24)33-21-9-11-23-20(15-21)8-10-22(34-23)19-6-4-3-5-7-19/h3-7,9,11-15,17,22H,8,10,16H2,1-2H3,(H,29,32)
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| InChIKey |
IXLSHHDNJNPEBC-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