General Information of the Compound
| Compound ID |
CP0072572
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| Compound Name |
US10301272, Example 6/19
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| Structure |
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| Formula |
C26H36ClF2N3O4S2
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| Molecular Weight |
592.174
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| Canonical SMILES |
CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(s1)-c1ccc(c(Cl)c1C(F)F)S(=O)(=O)NC(C)(C)C
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| InChI |
InChI=1S/C26H36ClF2N3O4S2/c1-25(2,3)32-38(35,36)18-12-11-16(19(20(18)27)22(28)29)21-17(13-15-9-7-6-8-10-15)31-24(37-21)23(33)30-14-26(4,5)34/h11-12,15,22,32,34H,6-10,13-14H2,1-5H3,(H,30,33)
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| InChIKey |
HCDHFTDPQRUZKR-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