General Information of the Compound
| Compound ID |
CP0564075
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| Compound Name |
US9233953, 33
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| Structure |
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| Formula |
C20H23F3N4O3S2
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| Molecular Weight |
488.557
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| Canonical SMILES |
Cc1cnc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C20H23F3N4O3S2/c1-13-10-25-18(31-13)16-12-26(17-3-2-15(11-24-17)20(21,22)23)6-7-27(16)19(28)14-4-8-32(29,30)9-5-14/h2-3,10-11,14,16H,4-9,12H2,1H3
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| InChIKey |
YBTJOTKCDWXHNX-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