General Information of the Compound
| Compound ID |
CP0560665
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| Compound Name |
US8912224, 285
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| Structure |
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| Formula |
C26H29N3O3S
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| Molecular Weight |
463.603
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| Canonical SMILES |
CN[C@H]1CN(CC[C@H]1C)C(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C26H29N3O3S/c1-17-12-13-29(16-21(17)27-2)25(30)24-15-28-26(33-24)31-20-9-11-23-19(14-20)8-10-22(32-23)18-6-4-3-5-7-18/h3-7,9,11,14-15,17,21-22,27H,8,10,12-13,16H2,1-2H3/t17-,21+,22+/m1/s1
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| InChIKey |
DKIOBZKJCGVWDK-WTNAPCKOSA-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