General Information of the Compound
| Compound ID |
CP0518548
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| Compound Name |
US8912224, 94
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| Structure |
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| Formula |
C27H27N3O4S
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| Molecular Weight |
489.597
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| Canonical SMILES |
Cc1noc(C)c1CCC(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C27H27N3O4S/c1-17-23(18(2)34-30-17)10-13-26(31)28-15-22-16-29-27(35-22)32-21-9-12-25-20(14-21)8-11-24(33-25)19-6-4-3-5-7-19/h3-7,9,12,14,16,24H,8,10-11,13,15H2,1-2H3,(H,28,31)
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| InChIKey |
RMQYVXVQPYVHMH-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