General Information of the Compound
| Compound ID |
CP0533161
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| Compound Name |
US8912224, 38
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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)c1CCCNC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C27H27N3O4S/c1-17-22(18(2)34-30-17)9-6-14-28-26(31)25-16-29-27(35-25)32-21-11-13-24-20(15-21)10-12-23(33-24)19-7-4-3-5-8-19/h3-5,7-8,11,13,15-16,23H,6,9-10,12,14H2,1-2H3,(H,28,31)
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| InChIKey |
UNTDAGALJCAFQV-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