General Information of the Compound
| Compound ID |
CP0908188
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| Compound Name |
US9062048, 64
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| Structure |
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| Formula |
C24H27F3N6O2S
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| Molecular Weight |
520.581
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| Canonical SMILES |
CN(CC(=O)NC1CN(C2CCC(O)(c3nccs3)CC2)C1)c1ncnc2ccc(C(F)(F)F)cc12
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| InChI |
InChI=1S/C24H27F3N6O2S/c1-32(21-18-10-15(24(25,26)27)2-3-19(18)29-14-30-21)13-20(34)31-16-11-33(12-16)17-4-6-23(35,7-5-17)22-28-8-9-36-22/h2-3,8-10,14,16-17,35H,4-7,11-13H2,1H3,(H,31,34)
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| InChIKey |
YYNKWWMSCQAERL-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