General Information of the Compound
| Compound ID |
CP0512311
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| Compound Name |
US9340500, I-104
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| Structure |
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| Formula |
C24H34F3N3O3S
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| Molecular Weight |
501.615
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| Canonical SMILES |
Cc1c(cc(n1CCCN1CCOCC1)C(C)(C)C)S(=O)(=O)NCc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H34F3N3O3S/c1-18-21(34(31,32)28-17-19-7-5-8-20(15-19)24(25,26)27)16-22(23(2,3)4)30(18)10-6-9-29-11-13-33-14-12-29/h5,7-8,15-16,28H,6,9-14,17H2,1-4H3
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| InChIKey |
YVVUAOORBXQBCL-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