General Information of the Compound
| Compound ID |
CP0561594
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| Compound Name |
US9233953, 19
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| Structure |
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| Formula |
C20H23FN4O3S
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| Molecular Weight |
418.494
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| Canonical SMILES |
Fc1cccc(c1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncccn1
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| InChI |
InChI=1S/C20H23FN4O3S/c21-17-4-1-3-16(13-17)18-14-24(20-22-7-2-8-23-20)9-10-25(18)19(26)15-5-11-29(27,28)12-6-15/h1-4,7-8,13,15,18H,5-6,9-12,14H2
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| InChIKey |
RSMOQVWBPXIZHC-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