General Information of the Compound
| Compound ID |
CP0419861
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| Compound Name |
US9233953, 30
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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(cc1F)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ccccn1
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| InChI |
InChI=1S/C21H23F2N3O3S/c22-17-5-4-16(13-18(17)23)19-14-25(20-3-1-2-8-24-20)9-10-26(19)21(27)15-6-11-30(28,29)12-7-15/h1-5,8,13,15,19H,6-7,9-12,14H2
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| InChIKey |
QDZFSLQREKRRCT-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