General Information of the Compound
| Compound ID |
CP0443388
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| Compound Name |
US9233953, 39
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| Structure |
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| Formula |
C22H22F5N3O3S
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| Molecular Weight |
503.493
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| Canonical SMILES |
Fc1ccc(cc1F)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F5N3O3S/c23-17-3-1-15(11-18(17)24)19-13-29(20-4-2-16(12-28-20)22(25,26)27)7-8-30(19)21(31)14-5-9-34(32,33)10-6-14/h1-4,11-12,14,19H,5-10,13H2
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| InChIKey |
HTTPNQWEQGJZNW-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