General Information of the Compound
| Compound ID |
CP0390254
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| Compound Name |
US8653100, 138
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| Structure |
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| Formula |
C25H27ClF2N4O3S
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| Molecular Weight |
537.032
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| Canonical SMILES |
Cn1cc(cn1)S(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CC(F)(F)C1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H27ClF2N4O3S/c1-32-14-21(13-30-32)36(33,34)31-10-11-35-20-7-2-17-8-9-29-23(22(17)12-20)24(15-25(27,28)16-24)18-3-5-19(26)6-4-18/h2-7,12-14,23,29,31H,8-11,15-16H2,1H3
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| InChIKey |
JIBSGMNEMKZSAA-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