General Information of the Compound
| Compound ID |
CP0535599
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| Compound Name |
US8653100, 44
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| Structure |
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| Formula |
C24H29ClF2N2O3S
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| Molecular Weight |
499.023
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CC(F)(F)C1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H29ClF2N2O3S/c1-2-13-33(30,31)29-11-12-32-20-8-3-17-9-10-28-22(21(17)14-20)23(15-24(26,27)16-23)18-4-6-19(25)7-5-18/h3-8,14,22,28-29H,2,9-13,15-16H2,1H3
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| InChIKey |
KRCRHPOVSYWUOI-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