General Information of the Compound
| Compound ID |
CP0513407
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| Compound Name |
US8906911, 30
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| Structure |
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| Formula |
C24H33F3N4O3S
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| Molecular Weight |
514.614
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| Canonical SMILES |
CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1nc(cs1)C(F)(F)F
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| InChI |
InChI=1S/C24H33F3N4O3S/c1-33-19-12-34-6-4-18(19)28-15-7-14-3-2-5-23(14,9-15)21(32)30-10-17-8-16(30)11-31(17)22-29-20(13-35-22)24(25,26)27/h13-19,28H,2-12H2,1H3/t14-,15-,16+,17+,18+,19-,23-/m1/s1
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| InChIKey |
IRFFFXKBUHDQEI-KWYGVJCUSA-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