General Information of the Compound
| Compound ID |
CP0546018
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| Compound Name |
US8901315, 197
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| Structure |
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| Formula |
C23H28FN5O2S
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| Molecular Weight |
457.575
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCOCC4)c3s2)cc1F
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| InChI |
InChI=1S/C23H28FN5O2S/c1-15-18-14-21(32-23(18)29(26-15)17-5-11-31-12-6-17)22(30)25-16-3-4-20(19(24)13-16)28-9-7-27(2)8-10-28/h3-4,13-14,17H,5-12H2,1-2H3,(H,25,30)
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| InChIKey |
LOPKCQHAULZWLI-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