General Information of the Compound
| Compound ID |
CP0493302
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| Compound Name |
US9062048, 49
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| Formula |
C22H29F3N6O3S
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| Molecular Weight |
514.574
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| Canonical SMILES |
CN([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C22H29F3N6O3S/c1-30(35(2,33)34)16-4-6-17(7-5-16)31-11-15(12-31)29-20(32)10-26-21-18-9-14(22(23,24)25)3-8-19(18)27-13-28-21/h3,8-9,13,15-17H,4-7,10-12H2,1-2H3,(H,29,32)(H,26,27,28)/t16-,17+
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| InChIKey |
KBGGHCSIHRQACX-CALCHBBNSA-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