General Information of the Compound
| Compound ID |
CP0495522
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| Compound Name |
US9233953, 40
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| Structure |
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| Formula |
C20H22F2N4O3S
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| Molecular Weight |
436.484
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| Canonical SMILES |
Fc1ccc(cc1F)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncccn1
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| InChI |
InChI=1S/C20H22F2N4O3S/c21-16-3-2-15(12-17(16)22)18-13-25(20-23-6-1-7-24-20)8-9-26(18)19(27)14-4-10-30(28,29)11-5-14/h1-3,6-7,12,14,18H,4-5,8-11,13H2
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| InChIKey |
SGEQEQDBVWLBEO-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