General Information of the Compound
| Compound ID |
CP0561591
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| Compound Name |
US9233953, 4
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| Structure |
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| Formula |
C21H22F4N4O3S
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| Molecular Weight |
486.491
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| Canonical SMILES |
Fc1cccc(c1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C21H22F4N4O3S/c22-17-3-1-2-15(10-17)18-13-28(20-26-11-16(12-27-20)21(23,24)25)6-7-29(18)19(30)14-4-8-33(31,32)9-5-14/h1-3,10-12,14,18H,4-9,13H2
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| InChIKey |
MZCMJTPIGBNWLZ-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