General Information of the Compound
| Compound ID |
CP0527562
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| Compound Name |
US8912224, 219
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| Structure |
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| Formula |
C30H28N2O5S
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| Molecular Weight |
528.63
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| Canonical SMILES |
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C30H28N2O5S/c1-2-35-29(34)24(17-20-9-5-3-6-10-20)32-28(33)27-19-31-30(38-27)36-23-14-16-26-22(18-23)13-15-25(37-26)21-11-7-4-8-12-21/h3-12,14,16,18-19,24-25H,2,13,15,17H2,1H3,(H,32,33)/t24-,25-/m0/s1
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| InChIKey |
GCDGWNYUXMOKJE-DQEYMECFSA-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