General Information of the Compound
| Compound ID |
CP0566964
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| Compound Name |
US8912224, 22
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| Structure |
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| Formula |
C28H27N3O4S
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| Molecular Weight |
501.608
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| Canonical SMILES |
CC[C@H](NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)c1ccc(OC)nc1
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| InChI |
InChI=1S/C28H27N3O4S/c1-3-22(20-10-14-26(33-2)29-16-20)31-27(32)25-17-30-28(36-25)34-21-11-13-24-19(15-21)9-12-23(35-24)18-7-5-4-6-8-18/h4-8,10-11,13-17,22-23H,3,9,12H2,1-2H3,(H,31,32)/t22-,23?/m0/s1
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| InChIKey |
CTEKOZMMJDWZBC-NQCNTLBGSA-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