General Information of the Compound
| Compound ID |
CP0536966
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| Compound Name |
US8912224, 262
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| Structure |
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| Formula |
C29H27N3O5S
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| Molecular Weight |
529.618
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| Canonical SMILES |
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1
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| InChI |
InChI=1S/C29H27N3O5S/c1-2-35-28(34)23(15-19-7-4-3-5-8-19)32-27(33)26-18-31-29(38-26)36-22-11-13-24-20(16-22)10-12-25(37-24)21-9-6-14-30-17-21/h3-9,11,13-14,16-18,23,25H,2,10,12,15H2,1H3,(H,32,33)/t23-,25?/m0/s1
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| InChIKey |
SSPCPKUBLOKGCO-LFQPHHBNSA-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