General Information of the Compound
| Compound ID |
CP0117058
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| Compound Name |
US9340555, 34
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| Structure |
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| Formula |
C30H32F2N6O3S
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| Molecular Weight |
594.688
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| Canonical SMILES |
CN1CCN(CCCNC(=O)c2cc3nccc(Oc4ccc(NC(=O)Nc5cc(C)ccc5F)c(F)c4)c3s2)CC1
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| InChI |
InChI=1S/C30H32F2N6O3S/c1-19-4-6-21(31)24(16-19)36-30(40)35-23-7-5-20(17-22(23)32)41-26-8-10-33-25-18-27(42-28(25)26)29(39)34-9-3-11-38-14-12-37(2)13-15-38/h4-8,10,16-18H,3,9,11-15H2,1-2H3,(H,34,39)(H2,35,36,40)
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| InChIKey |
BMFHAIYLTOVZTR-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