General Information of the Compound
| Compound ID |
CP0564902
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| Compound Name |
US9340500, I-078
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| Structure |
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| Formula |
C26H35F3N4O4S
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| Molecular Weight |
556.651
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| Canonical SMILES |
Cc1c(cc(C2CCN(CC2)S(C)(=O)=O)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H35F3N4O4S/c1-19-23(25(34)30-22-6-3-5-21(17-22)26(27,28)29)18-24(20-7-11-32(12-8-20)38(2,35)36)33(19)10-4-9-31-13-15-37-16-14-31/h3,5-6,17-18,20H,4,7-16H2,1-2H3,(H,30,34)
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| InChIKey |
ZCBPFCXLUUGICP-UHFFFAOYSA-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