General Information of the Compound
| Compound ID |
CP0519637
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| Compound Name |
US9233953, 52
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| Structure |
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| Formula |
C20H21F4N3O4S
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| Molecular Weight |
475.464
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| Canonical SMILES |
Fc1ccc(cc1)[C@H]1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cc(on1)C(F)(F)F
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| InChI |
InChI=1S/C20H21F4N3O4S/c21-15-3-1-13(2-4-15)16-12-26(18-11-17(31-25-18)20(22,23)24)7-8-27(16)19(28)14-5-9-32(29,30)10-6-14/h1-4,11,14,16H,5-10,12H2/t16-/m1/s1
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| InChIKey |
YJCNKBVYLICZDT-MRXNPFEDSA-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