General Information of the Compound
| Compound ID |
CP0957710
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| Compound Name |
US9062048, 88
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| Structure |
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| Formula |
C26H31F3N6O2S
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| Molecular Weight |
548.635
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| Canonical SMILES |
CC(C)c1nc(NCC(=O)NC2CN(C3CCC(O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C26H31F3N6O2S/c1-15(2)23-33-20-4-3-16(26(27,28)29)9-19(20)24(34-23)31-11-22(36)32-17-12-35(13-17)18-5-7-25(37,8-6-18)21-10-30-14-38-21/h3-4,9-10,14-15,17-18,37H,5-8,11-13H2,1-2H3,(H,32,36)(H,31,33,34)
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| InChIKey |
FRIUIPFFUUXNHO-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