General Information of the Compound
| Compound ID |
CP0556595
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| Compound Name |
US8912224, 221
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| Structure |
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| Formula |
C26H23F3N2O5S
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| Molecular Weight |
532.54
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| Canonical SMILES |
COC(=O)C1CN(CC1C(F)(F)F)C(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C26H23F3N2O5S/c1-34-24(33)18-13-31(14-19(18)26(27,28)29)23(32)22-12-30-25(37-22)35-17-8-10-21-16(11-17)7-9-20(36-21)15-5-3-2-4-6-15/h2-6,8,10-12,18-20H,7,9,13-14H2,1H3/t18?,19?,20-/m0/s1
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| InChIKey |
SVHKKZKBSHWZQK-MHJFOBGBSA-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