General Information of the Compound
| Compound ID |
CP0957324
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| Compound Name |
US8653100, 79
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| Structure |
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| Formula |
C27H33FN4O3S
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| Molecular Weight |
512.651
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(F)cc3)CCC1)N(c1ncc[nH]1)CC2
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| InChI |
InChI=1S/C27H33FN4O3S/c1-2-18-36(33,34)31-15-17-35-23-9-4-20-10-16-32(26-29-13-14-30-26)25(24(20)19-23)27(11-3-12-27)21-5-7-22(28)8-6-21/h4-9,13-14,19,25,31H,2-3,10-12,15-18H2,1H3,(H,29,30)
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| InChIKey |
NRWXBSIRGDZNFE-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