General Information of the Compound
| Compound ID |
CP0519527
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| Compound Name |
US9120756, 6
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| Structure |
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| Formula |
C24H37FN4O3S
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| Molecular Weight |
480.65
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| Canonical SMILES |
CCCCCCn1nc(cc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C
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| InChI |
InChI=1S/C24H37FN4O3S/c1-7-8-9-10-13-29-19(15-22(27-29)24(3,4)5)16-26-23(30)17(2)18-11-12-21(20(25)14-18)28-33(6,31)32/h11-12,14-15,17,28H,7-10,13,16H2,1-6H3,(H,26,30)/t17-/m0/s1
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| InChIKey |
BXCIEPTXZCCLIC-KRWDZBQOSA-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