General Information of the Compound
| Compound ID |
CP0512735
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| Compound Name |
US9233953, 157
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| Structure |
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| Formula |
C22H23F4N3O3S
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| Molecular Weight |
485.503
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| Canonical SMILES |
Fc1cccc(c1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C22H23F4N3O3S/c23-18-3-1-2-16(12-18)19-14-28(20-5-4-17(13-27-20)22(24,25)26)8-9-29(19)21(30)15-6-10-33(31,32)11-7-15/h1-5,12-13,15,19H,6-11,14H2
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| InChIKey |
AASAPPJCMBYCII-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