General Information of the Compound
| Compound ID |
CP0413179
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| Compound Name |
US9193726, 71
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| Structure |
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| Formula |
C23H23F3N4O3S
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| Molecular Weight |
492.523
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| Canonical SMILES |
C[C@@H]([C@@H]1CC[C@@H](O1)c1ccc(s1)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
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| InChI |
InChI=1S/C23H23F3N4O3S/c1-13-11-28(12-27-13)15-3-4-16-22(32)29(9-10-30(16)21(15)31)14(2)17-5-6-18(33-17)19-7-8-20(34-19)23(24,25)26/h3-4,7-8,11-12,14,17-18H,5-6,9-10H2,1-2H3/t14-,17-,18+/m0/s1
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| InChIKey |
XQZUMERXJVPQIX-JCGIZDLHSA-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