General Information of the Compound
| Compound ID |
CP0562455
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| Compound Name |
US9365558, 60
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| Structure |
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| Formula |
C27H31F3N4O5S
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| Molecular Weight |
580.629
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| Canonical SMILES |
C[C@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc(OCCCC(F)(F)F)cc1
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| InChI |
InChI=1S/C27H31F3N4O5S/c1-26(18-5-7-19(8-6-18)39-14-2-12-27(28,29)30)15-21(22-11-13-34(32-22)16-17-3-4-17)23(24(35)31-26)25(36)33-40(37,38)20-9-10-20/h5-8,11,13,17,20H,2-4,9-10,12,14-16H2,1H3,(H,31,35)(H,33,36)/t26-/m0/s1
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| InChIKey |
SZISIEONLDWJBD-SANMLTNESA-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