General Information of the Compound
| Compound ID |
CP0488804
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| Compound Name |
US9062048, 97
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| Formula |
C22H28F3N5O2
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| Molecular Weight |
451.493
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| Canonical SMILES |
CC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C22H28F3N5O2/c1-13(31)14-2-5-17(6-3-14)30-10-16(11-30)29-20(32)9-26-21-18-8-15(22(23,24)25)4-7-19(18)27-12-28-21/h4,7-8,12-14,16-17,31H,2-3,5-6,9-11H2,1H3,(H,29,32)(H,26,27,28)/t13?,14-,17+
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| InChIKey |
KKPIHKSIOSVPQZ-IWBDMEFISA-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