General Information of the Compound
| Compound ID |
CP0555587
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| Compound Name |
US9062048, 41
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| Formula |
C22H27F3N6O2
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| Molecular Weight |
464.492
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| Canonical SMILES |
CC(=O)N[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C22H27F3N6O2/c1-13(32)29-15-3-5-17(6-4-15)31-10-16(11-31)30-20(33)9-26-21-18-8-14(22(23,24)25)2-7-19(18)27-12-28-21/h2,7-8,12,15-17H,3-6,9-11H2,1H3,(H,29,32)(H,30,33)(H,26,27,28)/t15-,17+
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| InChIKey |
AZQQEUJRDLWUNT-WOVMCDHWSA-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