General Information of the Compound
| Compound ID |
CP0548724
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| Compound Name |
US8912224, 243
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| Structure |
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| Formula |
C25H21F3N2O5S
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| Molecular Weight |
518.513
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| Canonical SMILES |
OC(=O)C1CN(CC1C(F)(F)F)C(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C25H21F3N2O5S/c26-25(27,28)18-13-30(12-17(18)23(32)33)22(31)21-11-29-24(36-21)34-16-7-9-20-15(10-16)6-8-19(35-20)14-4-2-1-3-5-14/h1-5,7,9-11,17-19H,6,8,12-13H2,(H,32,33)/t17?,18?,19-/m0/s1
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| InChIKey |
BASVASFOLNEJSI-ACBHZAAOSA-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