General Information of the Compound
| Compound ID |
CP0577880
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| Compound Name |
US9233953, 160
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| Structure |
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| Formula |
C18H21F3N4O3S3
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| Molecular Weight |
494.586
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| Canonical SMILES |
Cc1ccc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1nnc(s1)C(F)(F)F
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| InChI |
InChI=1S/C18H21F3N4O3S3/c1-11-2-3-14(29-11)13-10-24(17-23-22-16(30-17)18(19,20)21)6-7-25(13)15(26)12-4-8-31(27,28)9-5-12/h2-3,12-13H,4-10H2,1H3
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| InChIKey |
IGTXXMVQRRGUNL-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