General Information of the Compound
| Compound ID |
CP0536704
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| Compound Name |
CHEMBL3361191
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| Formula |
C26H28F3N5O3S
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| Molecular Weight |
547.603
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| Canonical SMILES |
FC(F)(F)S(=O)(=O)NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C26H28F3N5O3S/c27-26(28,29)38(36,37)34-24(35)21-13-11-19(12-14-21)17-31-25-32-22(20-9-5-2-6-10-20)15-23(33-25)30-16-18-7-3-1-4-8-18/h1-10,15,19,21H,11-14,16-17H2,(H,34,35)(H2,30,31,32,33)/t19-,21-
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| InChIKey |
UCPFVTBNZFWMBT-XUTJKUGGSA-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