General Information of the Compound
| Compound ID |
CP0515138
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| Compound Name |
US9365558, 52
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| Structure |
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| Formula |
C28H29F7N4O4S
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| Molecular Weight |
650.617
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| Canonical SMILES |
Fc1cc(CCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F
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| InChI |
InChI=1S/C28H29F7N4O4S/c29-21-13-16(3-1-2-11-27(30,31)32)6-9-20(21)26(28(33,34)35)14-19(22-10-12-39(37-22)15-17-4-5-17)23(24(40)36-26)25(41)38-44(42,43)18-7-8-18/h6,9-10,12-13,17-18H,1-5,7-8,11,14-15H2,(H,36,40)(H,38,41)/t26-/m0/s1
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| InChIKey |
FXXDHFFHRLMCRF-SANMLTNESA-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