General Information of the Compound
| Compound ID |
CP0506945
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| Compound Name |
US8940771, 48
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| Structure |
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| Formula |
C21H24F3N5O2S
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| Molecular Weight |
467.517
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| Canonical SMILES |
Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(c1)C1(CCC1)C(F)(F)F
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| InChI |
InChI=1S/C21H24F3N5O2S/c1-12-15(13-5-9-26-14(11-13)20(7-3-8-20)21(22,23)24)32-17(27-12)28-18(31)29-10-4-6-19(29,2)16(25)30/h5,9,11H,3-4,6-8,10H2,1-2H3,(H2,25,30)(H,27,28,31)/t19-/m0/s1
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| InChIKey |
OKIYKVMOQGAJPK-IBGZPJMESA-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