General Information of the Compound
| Compound ID |
CP0283357
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| Compound Name |
CHEMBL1642594
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| Formula |
C27H33F3N2O4S
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| Molecular Weight |
538.632
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| Canonical SMILES |
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CNS(C)(=O)=O)(CC1)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C27H33F3N2O4S/c1-25(34,27(28,29)30)20-10-8-19(9-11-20)24(33)32(22-12-13-22)23-14-16-26(17-15-23,18-31-37(2,35)36)21-6-4-3-5-7-21/h3-11,22-23,31,34H,12-18H2,1-2H3/t23-,25-,26-/m0/s1
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| InChIKey |
KVTMYUXPWDQIDC-RNXOBYDBSA-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