General Information of the Compound
| Compound ID |
CP0512306
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| Compound Name |
US9340500, I-084
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| Structure |
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| Formula |
C28H23ClF4N2OS
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| Molecular Weight |
547.017
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1CCSCc1c(F)cccc1Cl)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H23ClF4N2OS/c1-18-22(27(36)34-21-10-5-9-20(15-21)28(31,32)33)16-26(19-7-3-2-4-8-19)35(18)13-14-37-17-23-24(29)11-6-12-25(23)30/h2-12,15-16H,13-14,17H2,1H3,(H,34,36)
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| InChIKey |
QCYAARGAZAZISP-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