General Information of the Compound
| Compound ID |
CP0899566
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| Compound Name |
US8993765, 26
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| Structure |
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| Formula |
C22H17F3N4O
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| Molecular Weight |
410.399
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| Canonical SMILES |
O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccn2c3c(nc2c1)CCNC3
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| InChI |
InChI=1S/C22H17F3N4O/c23-22(24,25)16-3-1-14(2-4-16)15-6-9-28(21(30)11-15)17-7-10-29-19-13-26-8-5-18(19)27-20(29)12-17/h1-4,6-7,9-12,26H,5,8,13H2
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| InChIKey |
YWUXVPBJILEYPK-UHFFFAOYSA-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