General Information of the Compound
| Compound ID |
CP0506838
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| Compound Name |
US9233953, 46
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| Structure |
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| Formula |
C21H23F2N3O3S
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| Molecular Weight |
435.496
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| Canonical SMILES |
Fc1ccc(nc1)N1CCN(C(C1)c1ccccc1F)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C21H23F2N3O3S/c22-16-5-6-20(24-13-16)25-9-10-26(19(14-25)17-3-1-2-4-18(17)23)21(27)15-7-11-30(28,29)12-8-15/h1-6,13,15,19H,7-12,14H2
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| InChIKey |
ZYLWUTHWGSSCNN-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